BioLiP

PDB

BioLiP

PDB CCD ID:

96B

Number of entries in BioLiP:

Chemical formula:

C10 H13 N

InChI:

InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2/t10-/m1/s1

InChIKey:

JUTDHSGANMHVIC-SNVBAGLBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)[C@H]2CCCN2
CACTVS 3.385	C1CN[C@H](C1)c2ccccc2
CACTVS 3.385	C1CN[CH](C1)c2ccccc2
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C2CCCN2
ACDLabs 12.01	N1C(CCC1)c2ccccc2

Name:

(2R)-2-phenylpyrrolidine

ZINC:

ZINC000001444851

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).