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BioLiP

PDB CCD ID: AP6
Number of entries in BioLiP: 4
Chemical formula: C12 H14 N6
InChI: InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1
InChIKey: VEKRIXRQADJFAG-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2CNc3c(c(nc(n3)N)N)N2
CACTVS 3.341Nc1nc(N)c2N[CH](CNc2n1)c3ccccc3
ACDLabs 10.04n3c(nc2c(NC(c1ccccc1)CN2)c3N)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2
CACTVS 3.341Nc1nc(N)c2N[C@@H](CNc2n1)c3ccccc3
Name:2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE
DrugBank: DB02911
ZINC: ZINC000003870723
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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