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BioLiP

PDB CCD ID: KSC
Number of entries in BioLiP: 1
Chemical formula: C19 H22 N6 O2
InChI: InChI=1S/C19H22N6O2/c1-11-9-15(21-10-12-3-4-12)25-19(22-11)16(17(20)26)18(24-25)23-13-5-7-14(27-2)8-6-13/h5-9,12,21H,3-4,10H2,1-2H3,(H2,20,26)(H,23,24)
InChIKey: MQQLFCCVKCAWKZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N)NCC4CC4
CACTVS 3.352COc1ccc(Nc2nn3c(NCC4CC4)cc(C)nc3c2C(N)=O)cc1
Name:7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
ZINC: ZINC000064744179
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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