BioLiP

PDB

BioLiP

PDB CCD ID:

IKJ

Number of entries in BioLiP:

Chemical formula:

C13 H21 B N O2 P

InChI:

InChI=1S/C13H21BNO2P/c14-18(7-1-2-8-18)11-5-3-10(4-6-11)9-12(15)13(16)17/h3-6,12,18H,1-2,7-9,14-15H2,(H,16,17)/t12-/m0/s1

InChIKey:

HHYGRNJKTQQZGG-LBPRGKRZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	B[PH]1(CCCC1)c2ccc(C[CH](N)C(O)=O)cc2
OpenEye OEToolkits 2.0.7	BP1(CCCC1)c2ccc(cc2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	BP1(CCCC1)c2ccc(cc2)CC(C(=O)O)N
CACTVS 3.385	B[PH]1(CCCC1)c2ccc(C[C@H](N)C(O)=O)cc2

Name:

(2~{S})-2-azanyl-3-[4-(1-boranyl-1$l^{5}-phospholan-1-yl)phenyl]propanoic acid;
P3F

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).