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BioLiP

PDB CCD ID: 6GI
Number of entries in BioLiP: 1
Chemical formula: C26 H23 N7 O3
InChI: InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1
InChIKey: YNNIPDFDZWDMRE-XMMPIXPASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccn2cc(nc2c1)COc3ccc(cc3)C4NC(=Nc5n4c6cc7c(cc6n5)OCCCO7)N
CACTVS 3.385NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5
CACTVS 3.385NC1=Nc2nc3cc4OCCCOc4cc3n2[C@@H](N1)c5ccc(OCc6cn7ccccc7n6)cc5
Name:13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine
ZINC: ZINC000012506425
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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