BioLiP

PDB

BioLiP

PDB CCD ID:

HMF

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2

InChI:

InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1

InChIKey:

JTTHKOPSMAVJFE-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CCC(C(=O)O)N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC[C@H](C(=O)O)N
CACTVS 3.370	N[CH](CCc1ccccc1)C(O)=O
CACTVS 3.370	N[C@H](CCc1ccccc1)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CCc1ccccc1

Name:

2-AMINO-4-PHENYL-BUTYRIC ACID;
D-BETA-HOMOPHENYLALANINE

ZINC:

ZINC000008075875

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).