BioLiP

PDB

BioLiP

PDB CCD ID:

PYA

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O2

InChI:

InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1

InChIKey:

LODBCIBKOKOGNL-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc2ccc3ccc(nc3c2nc1)CC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3
CACTVS 3.341	N[CH](Cc1ccc2ccc3cccnc3c2n1)C(O)=O
CACTVS 3.341	N[C@@H](Cc1ccc2ccc3cccnc3c2n1)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc2ccc3ccc(nc3c2nc1)C[C@@H](C(=O)O)N

Name:

3-(1,10-PHENANTHROL-2-YL)-L-ALANINE

DrugBank:

DB01659

ZINC:

ZINC000006548293

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).