BioLiP

PDB

BioLiP

PDB CCD ID:

PHL

Number of entries in BioLiP:

Chemical formula:

C9 H13 N O

InChI:

InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1

InChIKey:

STVVMTBJNDTZBF-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CO)Cc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC(CO)N
CACTVS 3.341	N[C@H](CO)Cc1ccccc1
ACDLabs 10.04	OCC(N)Cc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C[C@@H](CO)N

Name:

L-PHENYLALANINOL;
bound form of Phenylalaninal

ChEMBL:

CHEMBL1235287

DrugBank:

DB04484

ZINC:

ZINC000006731693

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).