SEQ2FUN

BioLiP

PDB CCD ID: RPG
Number of entries in BioLiP: 2
Chemical formula: C20 H32 O4
InChI: InChI=1S/C20H32O4/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/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1
InChIKey: BGKHCLZFGPIKKU-LDDQNKHRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O
CACTVS 3.385CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
OpenEye OEToolkits 2.0.6CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O
CACTVS 3.385CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O
Name:(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid;
PROSTAGLANDIN A1 (PGA1)
ChEMBL: CHEMBL1084644
ZINC: ZINC000004096507
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).