Ligand
Ligand Name:   D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE
Ligand Type:   non-polymer
Ligand ID:   COVPDB689 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N[C@H](Cc1ccccc1)C(=O)N([C@@H](CCCNC(N)=N)C(=O)CCl)C(=O)[C@@H]1CCCN1
Standard InChI:   InChI=1S/C21H31ClN6O3/c22-13-18(29)17(9-5-11-27-21(24)25)28(20(31)16-8-4-10-26-16)19(30)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17,26H,4-5,8-13,23H2,(H4,24,25,27)/t15-,16+,17+/m1/s1
Molecular Formula:   C21H31ClN6O3 Mol. Weight:   450.21463 logP:   0.10337
HBD:   5 HBA:   6
#Rotatable Bonds:   11 TPSA:   154.4

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Prothrombin P00734 (THRB_HUMAN) Homo sapiens (Human) 3E6P DFK
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