BioLiP

PDB

BioLiP

PDB CCD ID:

6CV

Number of entries in BioLiP:

Chemical formula:

C9 H10 Br N O2

InChI:

InChI=1S/C9H10BrNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

InChIKey:

GDMOHOYNMWWBAU-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(cc(c1)Br)CC(C(=O)O)N
CACTVS 3.385	N[CH](Cc1cccc(Br)c1)C(O)=O
OpenEye OEToolkits 2.0.4	c1cc(cc(c1)Br)C[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](Cc1cccc(Br)c1)C(O)=O
ACDLabs 12.01	Brc1cccc(CC(N)C(O)=O)c1

Name:

3-bromo-L-phenylalanine

ChEMBL:

CHEMBL3809682

ZINC:

ZINC000003679860

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).