BioLiP

PDB

BioLiP

PDB CCD ID:

HWF

Number of entries in BioLiP:

Chemical formula:

C13 H17 N O2

InChI:

InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1

InChIKey:

OSTNIMGVYREMID-RYUDHWBXSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH](Cc1ccccc1)[CH]2CCNC2
CACTVS 3.385	OC(=O)[C@@H](Cc1ccccc1)[C@H]2CCNC2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C[C@@H]([C@H]2CCNC2)C(=O)O
ACDLabs 12.01	O=C(O)C(Cc1ccccc1)C1CCNC1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC(C2CCNC2)C(=O)O

Name:

(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid;
LY3353871

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).