BioLiP

PDB

BioLiP

PDB CCD ID:

PQG

Number of entries in BioLiP:

Chemical formula:

C13 H17 N O2

InChI:

InChI=1S/C13H17NO2/c14-13(12(15)16)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,16)/t11-,13+

InChIKey:

TWAYLYPZRSXEOS-BJHJDKERSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2CCC(CC2)(C(=O)O)N
ACDLabs 12.01	c1(ccccc1)C2CCC(N)(C(O)=O)CC2
CACTVS 3.385	N[C]1(CC[CH](CC1)c2ccccc2)C(O)=O
CACTVS 3.385	N[C@]1(CC[C@H](CC1)c2ccccc2)C(O)=O

Name:

cis-1-amino-4-phenylcyclohexane-1-carboxylic acid

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).