BioLiP

PDB

BioLiP

PDB CCD ID:

BF7

Number of entries in BioLiP:

Chemical formula:

C9 H10 Br N O2

InChI:

InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1

InChIKey:

PEMUHKUIQHFMTH-MRVPVSSYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(Cc1ccc(cc1)Br)C(=O)O
OpenEye OEToolkits 2.0.7	c1cc(ccc1C[C@H](C(=O)O)N)Br
CACTVS 3.385	N[CH](Cc1ccc(Br)cc1)C(O)=O
CACTVS 3.385	N[C@H](Cc1ccc(Br)cc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1CC(C(=O)O)N)Br

Name:

4-bromo-D-phenylalanine

ZINC:

ZINC000000032334

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).