SEQ2FUN

BioLiP

PDB CCD ID: MV4
Number of entries in BioLiP: 1
Chemical formula: C21 H20 N6
InChI: InChI=1S/C21H20N6/c22-15-8-9-27(12-15)20-18(10-14-11-24-21(23)26-19(14)25-20)17-7-3-5-13-4-1-2-6-16(13)17/h1-7,10-11,15H,8-9,12,22H2,(H2,23,24,25,26)/t15-/m1/s1
InChIKey: LGFLKSRFTIOLSI-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H]1CCN(C1)c2nc3nc(N)ncc3cc2c4cccc5ccccc45
ACDLabs 12.01c13nc(ncc1cc(c(N2CCC(N)C2)n3)c5c4ccccc4ccc5)N
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CCC(C5)N)N
CACTVS 3.385N[CH]1CCN(C1)c2nc3nc(N)ncc3cc2c4cccc5ccccc45
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N
Name:7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine
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).