BioLiP

PDB

BioLiP

PDB CCD ID:

E2P

Number of entries in BioLiP:

Chemical formula:

C20 H30 O4

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/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m1/s1

InChIKey:

PRFXRIUZNKLRHM-RYPCXPIFSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1C(=C(/C=C/C(O)CCCCC)CC1)C\C=C/CCCC(=O)O
OpenEye OEToolkits 1.5.0	CCCCC[C@H](\C=C\C1=C(C(=O)CC1)C\C=C/CCCC(=O)O)O
OpenEye OEToolkits 1.5.0	CCCCCC(C=CC1=C(C(=O)CC1)CC=CCCCC(=O)O)O
CACTVS 3.341	CCCCC[CH](O)C=CC1=C(CC=CCCCC(O)=O)C(=O)CC1
CACTVS 3.341	CCCCC[C@@H](O)\C=C\C1=C(C\C=C/CCCC(O)=O)C(=O)CC1

Name:

PROSTAGLANDIN B2

ZINC:

ZINC000005273623

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).