BioLiP

PDB

BioLiP

PDB CCD ID:

DQ7

Number of entries in BioLiP:

Chemical formula:

C24 H25 N O2

InChI:

InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1

InChIKey:

JXIGVUPYYZGRRZ-JOCHJYFZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c2ccccc2)c3ccccc3
OpenEye OEToolkits 1.9.2	Cc1cccc(c1)C(CC[C@H](C(=O)O)N)(c2ccccc2)c3ccccc3
ACDLabs 12.01	O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C
OpenEye OEToolkits 1.9.2	Cc1cccc(c1)C(CCC(C(=O)O)N)(c2ccccc2)c3ccccc3
CACTVS 3.385	Cc1cccc(c1)C(CC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3

Name:

(2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID

ChEMBL:

CHEMBL2022996

ZINC:

ZINC000084632745

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).