BioLiP

PDB

BioLiP

PDB CCD ID:

UGU

Number of entries in BioLiP:

Chemical formula:

C20 H34 O5

InChI:

InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1

InChIKey:

PXGPLTODNUVGFL-YNNPMVKQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
CACTVS 3.385	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
CACTVS 3.385	CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 2.0.7	CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O

Name:

(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid;
Dinoprost;
Prostaglandin F2a;
PGF2alpha

ChEMBL:

CHEMBL815

DrugBank:

DB12789

ZINC:

ZINC000003830709

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).