Index	PDB ID	Protein Name	Organism	UniProt ID	Ligand Name	Canonical SMILES	HET Code
1	2QXH	Kallikrein-7	Homo sapiens (Human)	P49862	Suc-Ala-Ala-Pro-Phe-chloromethylketone	C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	K7J
2	2QXI	Kallikrein-7	Homo sapiens (Human)	P49862	Suc-Ala-Ala-Pro-Phe-chloromethylketone	C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	K7J
3	2QXJ	Kallikrein-7	Homo sapiens (Human)	P49862	Suc-Ala-Ala-Pro-Phe-chloromethylketone	C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	K7J
4	6SHH	Kallikrein-7	Homo sapiens (Human)	P49862	3‐chlorophenyl 6‐(chloromethyl)coumarin‐3‐carboxylate	ClCc(cc1)cc(c12)cc(c(o2)=O)C(=O)Oc3cccc(Cl)c3	SH7
5	6SJU	Kallikrein-7	Homo sapiens (Human)	P49862	3‐chlorophenyl 6‐(chloromethyl)coumarin‐3‐carboxylate	ClCc(cc1)cc(c12)cc(c(o2)=O)C(=O)Oc3cccc(Cl)c3	LFW
6	5YKP	Methionine aminopeptidase 1	Homo sapiens (Human)	P53582	OVALICIN	C[C@@]1(O)CCC(=O)[C@@H](OC)[C@]1(O)[C@@]2(C)O[C@@H]2CC=C(C)C	OVA
7	5YR5	Methionine aminopeptidase 1	Homo sapiens (Human)	P53582	OVALICIN	C[C@@]1(O)CCC(=O)[C@@H](OC)[C@]1(O)[C@@]2(C)O[C@@H]2CC=C(C)C	OVA
8	1B59	Methionine aminopeptidase 2	Homo sapiens (Human)	P50579	OVALICIN	C[C@@]1(O)CCC(=O)[C@@H](OC)[C@]1(O)[C@@]2(C)O[C@@H]2CC=C(C)C	OVA
9	6VIM	Mandelate racemase	Pseudomonas putida (Arthrobacter siderocapsulatus)	P11444	PHENYL BORONIC ACID	OB(O)c1ccccc1	PBC
10	1BK9	Acidic phospholipase A2	Gloydius halys (Chinese water mocassin) (Agkistrodon halys)	P14418	p-bromophenacyl bromide	Brc1ccc(cc1)C(=O)CBr	PBP
11	3HZW	Basic phospholipase A2 homolog bothropstoxin-1	Bothrops jararacussu (Jararacussu)	Q90249	p-bromophenacyl bromide	Brc1ccc(cc1)C(=O)CBr	PBP
12	3I03	Basic phospholipase A2 homolog bothropstoxin-1	Bothrops jararacussu (Jararacussu)	Q90249	p-bromophenacyl bromide	Brc1ccc(cc1)C(=O)CBr	PBP
13	2OK9	Basic phospholipase A2 homolog piratoxin-1	Bothrops pirajai (Piraja's lancehead)	P58399	p-bromophenacyl bromide	Brc1ccc(cc1)C(=O)CBr	PBP
14	1Z76	Acidic phospholipase A2 BthA-1	Bothrops jararacussu (Jararacussu)	Q8AXY1	p-bromophenacyl bromide	Brc1ccc(cc1)C(=O)CBr	PBP
15	3A73	Albumin	Homo sapiens (Human)	P02768	delta12-prostaglandine J2	CCCCC[C@H](O)C\C=C1\[C@@H](C\C=C/CCCC(O)=O)C=CC1=O	PJ2
16	6SHI	Kallikrein-7	Homo sapiens (Human)	P49862	3-bromophenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate	ClCc(c1)ccc(c12)oc(=O)c(c2)C(=O)Oc3cccc(Br)c3	SH8
17	3ZEB	Rhomboid protease GlpG	Escherichia coli (strain K12)	P09391	7-AMINO-3-(2-PHENYLETHOXY)-4-CHLOROISOCOUMARIN	c1cc(N)cc(c12)c(=O)oc(c2Cl)OCCc3ccccc3	SV1
18	3CT4	PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit DhaK	Lactococcus lactis subsp. lactis (strain IL1403) (Streptococcus lactis)	Q9CIV8	Dihydroxyacetone	OCC(=O)CO	2HA
19	5YR6	Methionine aminopeptidase 1	Homo sapiens (Human)	P53582	TNP-470	CC(C)=CC[C@@H](O1)[C@@]1(C)[C@H]([C@]2(C)O)[C@H](OC)[C@@H](CC2)OC(=O)NC(=O)CCl	TN4
20	1B6A	Methionine aminopeptidase 2	Homo sapiens (Human)	P50579	TNP-470	CC(C)=CC[C@@H](O1)[C@@]1(C)[C@H]([C@]2(C)O)[C@H](OC)[C@@H](CC2)OC(=O)NC(=O)CCl	TN4
21	5YR4	Methionine aminopeptidase 1	Homo sapiens (Human)	P53582	TNP-470	CC(C)=CC[C@@H](O1)[C@@]1(C)[C@H]([C@]2(C)O)[C@H](OC)[C@@H](CC2)OC(=O)NC(=O)CCl	TN4
22	4HXF	Peptidase_S9 domain-containing protein	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)	O58323	N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-oxo-1-phenylbutan-2-yl]glycinamide	c1ccccc1C[C@@H](C(=O)CCl)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2	Y3A
23	4I4T	Tubulin beta-2B chain	Bos taurus (Bovine)	Q6B856	(-)-ZAMPANOLIDE	C/C=C/C=C\C(=O)N[C@@H](O)[C@H](C/C(C)=C/[C@@H]12)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H](O1)CC(C2)=C	ZPN
24	5NG1	Tubulin beta-2B chain	Bos taurus (Bovine)	Q6B856	(-)-ZAMPANOLIDE	C/C=C/C=C\C(=O)N[C@@H](O)[C@H](C/C(C)=C/[C@@H]12)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H](O1)CC(C2)=C	ZPN
25	4CH8	Prothrombin	Homo sapiens (Human)	P00734	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]-L-prolinamide	N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	0G6
26	6PX5	Prothrombin	Homo sapiens (Human)	P00734	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]-L-prolinamide	N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	0G6
27	2FIR	Coagulation factor VII	Homo sapiens (Human)	P08709	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]-L-prolinamide	N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	0G7
28	1DX5	Prothrombin	Homo sapiens (Human)	P00734	L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-oxoethyl]butyl}glycinamide	N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	0GJ
29	2XF2	Catalase	Penicillium janthinellum (Penicillium vitale)	D9N167	3-AMINO-s-Triazole	Nc1nc[nH]n1	3TR
30	5CLS	Methionine aminopeptidase 2	Homo sapiens (Human)	P50579	(4R,7R)-3-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydrospiro[1,2,3-benzotriazole-4,2'-oxiran]-7-yl N-(propan-2-yl)carbamate	COc1ccc(cc1)Cn2nnc(c2[C@]34CO3)[C@@H](CC4)OC(=O)NC(C)C	52T
31	5D6F	Methionine aminopeptidase 2	Homo sapiens (Human)	P50579	(4R,7S)-3-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydrospiro[1,2,3-benzotriazole-4,2'-oxiran]-7-yl N-(propan-2-yl)carbamate	COc1ccc(cc1)Cn2nnc(c2[C@]34CO3)[C@H](CC4)OC(=O)NC(C)C	57R
32	4DWQ	RNA-splicing ligase RtcB	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)	O59245	GUANOSINE-5'-MONOPHOSPHATE	Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	5GP
33	5NG1	Tubulin beta-2B chain	Bos taurus (Bovine)	Q6B856	(-)-Hexahydro-zampanolide	C/C=C/C=C\C(=O)N[C@@H](O)[C@@H](C/C(C)=C/[C@H]12)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@@H](O1)CC(C2)=C	8WE
34	5ZWF	Vitamin D3 receptor	Rattus norvegicus (Rat)	P13053	7-[(1R,3R,7E,17beta)-1,3-Dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-oct-2-en-4-one	C/C=C/C(=O)CC[C@@H](C)[C@H]1CC[C@H]([C@@]12C)/C(CCC2)=C/C=C3\C[C@@H](O)C(=C)[C@H](O)C3	9KR
35	5ZWH	Vitamin D3 receptor	Rattus norvegicus (Rat)	P13053	2-[(1R,3R,7E,17beta)-1,3-Dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-oct-6-en-4-yn-3-one	C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@H]([C@@]12C)/C(CCC2)=C/C=C3\C[C@@H](O)C(=C)[C@H](O)C3	9KX
36	6Q7N	Glyceraldehyde 3-phosphate phosphatase	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)	O58216	2-bromoacetophenone	BrCC(=O)c1ccccc1	AC0
37	8RSA	Ribonuclease pancreatic	Bos taurus (Bovine)	P61823	3'-DEOXY-3'-BROMOACETAMIDO-THYMIDINE	O=c1[nH]c(=O)n(cc1C)[C@H]2C[C@H](NC(=O)CBr)[C@H](O2)CO	ADT
38	1RAR	Ribonuclease pancreatic	Bos taurus (Bovine)	P61823	1,5-IAENS	OS(=O)(=O)c1cccc2c(NCCNC(=O)CI)cccc12	AEN
39	1RAS	Ribonuclease pancreatic	Bos taurus (Bovine)	P61823	1,5-IAENS	OS(=O)(=O)c1cccc2c(NCCNC(=O)CI)cccc12	AEN
40	1HNE	Neutrophil elastase	Homo sapiens (Human)	P08246	methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)CCl	MSU
41	2RDL	Chymase 2	Mesocricetus auratus (Golden hamster)	O70164	methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)CCl	ALV
42	3PRK	Proteinase K	Parengyodontium album (Tritirachium album)	P06873	methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)CCl	MSU
43	3KGD	RNA 3'-terminal phosphate cyclase	Escherichia coli (strain K12)	P46849	ADENOSINE MONOPHOSPHATE	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	AMP
44	2CXV	Genome polyprotein	Human hepatitis A virus genotype IB (isolate MBB) (HHAV) (Human hepatitis A virus (isolate Human/Northern Africa/MBB/1978))	P13901	N-benzyloxycarbonyl-l-serine-beta-lactone	O=C1OC[C@@H]1NC(=O)OCc2ccccc2	BBL
45	2A4O	Genome polyprotein	Human hepatitis A virus genotype IB (isolate MBB) (HHAV) (Human hepatitis A virus (isolate Human/Northern Africa/MBB/1978))	P13901	N-benzyloxycarbonyl-l-serine-beta-lactone	O=C1OC[C@@H]1NC(=O)OCc2ccccc2	BBL
46	2HAL	Genome polyprotein	Human hepatitis A virus genotype IB (isolate HM175) (HHAV) (Human hepatitis A virus (isolate Human/Australia/HM175/1976))	P08617	N-benzyloxycarbonyl-l-serine-beta-lactone	O=C1OC[C@@H]1NC(=O)OCc2ccccc2	BBL
47	2H6M	Genome polyprotein	Human hepatitis A virus genotype IB (isolate HM175) (HHAV) (Human hepatitis A virus (isolate Human/Australia/HM175/1976))	P08617	N-benzyloxycarbonyl-l-serine-beta-lactone	O=C1OC[C@@H]1NC(=O)OCc2ccccc2	BBL
48	2H9H	Genome polyprotein	Human hepatitis A virus genotype IB (isolate HM175) (HHAV) (Human hepatitis A virus (isolate Human/Australia/HM175/1976))	P08617	N-benzyloxycarbonyl-l-serine-beta-lactone	O=C1OC[C@@H]1NC(=O)OCc2ccccc2	BBL
49	1ARC	Protease 1	Achromobacter lyticus	P15636	TLCK	Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl	TCK
50	3E6P	Prothrombin	Homo sapiens (Human)	P00734	D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE	N[C@H](Cc1ccccc1)C(=O)N([C@@H](CCCNC(N)=N)C(=O)CCl)C(=O)[C@@H]1CCCN1	DFK
51	9XIA	Xylose isomerase	Streptomyces rubiginosus	P24300	(E)-3-deoxy-3-(fluoromethylidene)-D-glucose	OC[C@@H](O)[C@@H](O)C(=C/F)\[C@@H](O)C=O	DFR
52	6BL1	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens (Human)	O75874	(6aS,7S,10aR)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5H,6H,6aH,7H,8H,10aH-cyclohexa[h]quinazoline-9-carbonitrile	c1ccccc1[C@@]23[C@H]([C@H](C)C(=O)C(=C2)C#N)CCc4c3nc(nc4)Nc5ccccc5	DWG
53	6BL0	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens (Human)	O75874	(5aS,6S,9aR)-2-benzoyl-6-methyl-7-oxo-9a-phenyl-2H,4H,5H,5aH,6H,7H,9aH-cyclohexa[g]indazole-8-carbonitrile	c1ccccc1[C@@]23[C@H]([C@H](C)C(=O)C(=C2)C#N)CCc4c3nn(c4)C(=O)c5ccccc5	DWJ
54	6BKX	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens (Human)	O75874	(6aS,7S,10aR)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5H,6H,6aH,7H,8H,10aH-cyclohexa[h]quinazoline-9-carbonitrile	N#CC(=C1)C(=O)[C@@H](C)[C@@H]([C@]12C)CCc3c2nc(nc3)Nc4ccccc4	DWP
55	6BL2	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens (Human)	O75874	3-[(6aS,7S,10aR)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-5H,6H,6aH,7H,8H,10aH-cyclohexa[h]quinazolin-10a-yl]benzoic acid	C[C@H]1[C@@H]2CCc3cnc(Nc4ccccc4)nc3[C@]2(C=C(C#N)C1=O)c1cccc(c1)C(O)=O	DWS
56	5XPS	Transketolase	Scheffersomyces stipitis (strain ATCC 58785 / CBS 6054 / NBRC 10063 / NRRL Y-11545) (Yeast) (Pichia stipitis)	P34736	erythrose-4-phosphate	O[C@H](COP(O)(O)=O)[C@@H](O)C=O	E4P
57	6CGE	17-beta-hydroxysteroid dehydrogenase type 1	Homo sapiens (Human)	P14061	PBRM	BrCCc(cc1)cc(CC2)c1[C@@H](CC3)[C@@H]2[C@@H]([C@]34C)C[C@@H]([C@@H]4O)Cc5cccc(c5)C(=O)N	F0D
58	1BOA	Methionine aminopeptidase 2	Homo sapiens (Human)	P50579	FUMAGILLIN	CC(C)=CC[C@@H](O1)[C@@]1(C)[C@H]([C@@]23CO3)[C@H](OC)[C@@H](CC2)OC(=O)/C=C/C=C/C=C/C=C/C([O-])=O	FUG
59	1UOD	PEP-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit DhaK	Escherichia coli (strain K12)	P76015	dihydroxyacetonephosphate	OCC(=O)COP(O)(O)=O	G3H
60	1V0Y	Phospholipase D	Streptomyces sp. (strain PMF)	P84147	dibutyrylphosphatidylcholine	CCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCC	HI5
61	2GMT	Chymotrypsinogen A	Bos taurus (Bovine)	P00766	(2S) N-ACETYL-L-ALANYL-L-PHENYLALANYL-CHLOROETHYL KETONE	CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[C@H](Cl)C)Cc1ccccc1	HIN
62	9EST	Chymotrypsin-like elastase family member 1	Sus scrofa (Pig)	P00772	7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOURMARIN	c1cc(N)cc(c12)c(=O)oc(c2Cl)OCCBr	IBR
63	6QTN	Tubulin beta-2B chain	Bos taurus (Bovine)	Q6B856	Cyclostreptin	O=C1O[C@H](CC2)[C@@H](C)C(O3)=C1[C@@H]([C@H]4[C@@]23C)[C@H]5[C@H]6[C@H](C=C(C)[C@H]5C4)[C@H](O)[C@@H](C)[C@@H]6O	JHH