BioLiP

PDB

BioLiP

PDB CCD ID:

WKJ

Number of entries in BioLiP:

Chemical formula:

C11 H14 Cl N O

InChI:

InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2/t11-/m1/s1

InChIKey:

NVBPYTSZAGPUJC-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1CN2CC[C@H](C2)O)Cl
CACTVS 3.385	O[CH]1CCN(C1)Cc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.7	c1cc(ccc1CN2CCC(C2)O)Cl
CACTVS 3.385	O[C@@H]1CCN(C1)Cc2ccc(Cl)cc2
ACDLabs 12.01	c2(ccc(CN1CCC(C1)O)cc2)Cl

Name:

(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol

ZINC:

ZINC000000212917

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).