Ligand
Ligand Name:   (~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB406 PubChem:   5280880
Synonym(s):  
  •   prostaglandin a2
  • pga2
  • medullin
  • 5,6-cis-pga2
  • (15s)-pga2
  • (+)-prostaglandin a(sup 2)
  • 13345-50-1
  • unii-k6vt5bdy9e
  • (+)-prostaglandin a2
  • (15s)-prostaglandin a2
  • k6vt5bdy9e
  • 15(s)-prostaglandin a2
  • chebi:27820
  • 9-oxo-15s-hydroxy-5z,10z,13e-prostatrienoic acid
  • nsc 165561
  • prosta-5,10,13-trien-1-oic acid, 15-hydroxy-9-oxo-, (5z,13e,15s)-
  • (z)-7-[(1r,2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
  • 15(s)-hydroxy-9-oxo-5-cis-10,13-trans-prostenoic acid
  • 15(s)-hydroxy-9-oxo-5-cis-10,13-trans-prostatrienoic acid
  • pga(sup 2)
  • 5,6-cis-pga(sup 2)
  • mls000069589
  • prostaglandin a(sup 2)
  • (155)-pga2
  • brn 2221844
  • smr000058790
  • bspbio_001460
  • bml1-f02
  • gtpl6279
  • schembl2115595
  • chembl1084643
  • dtxsid20864388
  • prostaglandin a2 (pga2)
  • hms1361i22
  • hms1791i22
  • hms1989i22
  • hms3402i22
  • hms3648i11
  • zinc4521813
  • (5z,13e,15s)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid
  • 1999ah
  • lmfa03010035
  • idi1_033930
  • ncgc00022061-03
  • ncgc00022061-04
  • ncgc00022061-05
  • c05953
  • sr-01000946222
  • sr-01000946222-1
  • 15(s)-hydroxy-9-oxo-5-cis-10,13-trans-prostenoate
  • brd-k34782918-001-02-5
  • q27088462
  • 15a-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienoate
  • 15(s)-hydroxy-9-oxo-5-cis-10,13-trans-prostatrienoate
  • 15a-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienoic acid
  • 15a-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienecarboxylate
  • 362927f3-3a3e-47bc-84c3-c32a293aa956
  • 15.alpha.-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienoic acid
  • 15a-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienecarboxylic acid
  • 15.alpha.-hydroxy-9-oxo-cis-5,10,trans-13-prostatrienecarboxylic acid
  • prosta-5,10,13-trien-1-oicacid, 15-hydroxy-9-oxo-, (5z,13e,15s)-
  • 5-heptenoic acid, 7-(2-(3-hydroxy-1-octenyl)-5-oxo-3-cyclopenten-1-yl)- (van) (8ci)
  • prosta-5,10-13-trien-1-oic acid, 15-hydroxy-9-oxo-, (5z,13e,15s)- (9ci)
  • (z)-7-[(1r,2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoic acid
  • (z)-7-[(1r,2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoic acid
show 64 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1084643
Canonical SMILES:   CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
Standard InChI:   InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
Molecular Formula:   C20H30O4 Mol. Weight:   334.21442 logP:   4.0563
HBD:   2 HBA:   3
#Rotatable Bonds:   12 TPSA:   74.6

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Nuclear receptor subfamily 4 group A member 2 P43354 (NR4A2_HUMAN) Homo sapiens (Human) 5YD6 8SU
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