BioLiP

PDB

BioLiP

PDB CCD ID:

LWI

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O2

InChI:

InChI=1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)/t9-/m0/s1

InChIKey:

RDAKEAJYLGZEEA-VIFPVBQESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(Cc1ccccc1CN)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C[C@@H](C(=O)O)N)CN
CACTVS 3.385	NCc1ccccc1C[C@H](N)C(O)=O
CACTVS 3.385	NCc1ccccc1C[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CC(C(=O)O)N)CN

Name:

2-(aminomethyl)-L-phenylalanine

ZINC:

ZINC000004241964

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).