BioLiP

PDB

BioLiP

PDB CCD ID:

3FB

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O2

InChI:

InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

InChIKey:

OFVBLKINTLPEGH-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](CC(O)=O)Cc1ccccc1
CACTVS 3.370	N[C@H](CC(O)=O)Cc1ccccc1
OpenEye OEToolkits 1.7.2	c1ccc(cc1)CC(CC(=O)O)N
OpenEye OEToolkits 1.7.2	c1ccc(cc1)C[C@@H](CC(=O)O)N
ACDLabs 12.01	O=C(O)CC(N)Cc1ccccc1

Name:

(3S)-3-AMINO-4-PHENYLBUTANOIC ACID

ZINC:

ZINC000002386836

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).