BioLiP

PDB

BioLiP

PDB CCD ID:

BIF

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O2

InChI:

InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1

InChIKey:

JCZLABDVDPYLRZ-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2ccc(cc2)CC(C(=O)O)N
CACTVS 3.341	N[CH](Cc1ccc(cc1)c2ccccc2)C(O)=O
ACDLabs 10.04	O=C(O)C(N)Cc1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](Cc1ccc(cc1)c2ccccc2)C(O)=O

Name:

(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID;
BIPHENYLALANINE

DrugBank:

DB04639

ZINC:

ZINC000002244337

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).