SEQ2FUN

BioLiP

PDB CCD ID: LX0
Number of entries in BioLiP: 1
Chemical formula: C24 H24 N6 O2
InChI: InChI=1S/C24H24N6O2/c1-14(18-11-10-16-4-2-3-5-19(16)13-18)27-24-29-21(28-23(26)30-24)17-8-6-15(7-9-17)12-20(25)22(31)32/h2-11,13-14,20H,12,25H2,1H3,(H,31,32)(H3,26,27,28,29,30)/t14-,20+/m1/s1
InChIKey: UXYOCRLZKBFANG-VLIAUNLRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[C@@H](Nc1nc(N)nc(n1)c2ccc(C[C@H](N)C(O)=O)cc2)c3ccc4ccccc4c3
OpenEye OEToolkits 1.5.0CC(c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0C[C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc4ccc(c1nc(nc(n1)NC(c3cc2ccccc2cc3)C)N)cc4
CACTVS 3.341C[CH](Nc1nc(N)nc(n1)c2ccc(C[CH](N)C(O)=O)cc2)c3ccc4ccccc4c3
Name:4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine
ChEMBL: CHEMBL470084
ZINC: ZINC000040395096
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).