BioLiP

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●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB

BioLiP

PDB CCD ID:

1PF

Number of entries in BioLiP:

Chemical formula:

C26 H33 N3 O2

InChI:

InChI=1S/C26H33N3O2/c1-29-16-14-22(15-17-29)31-21-12-10-20(11-13-21)26-25-23(27-28-26)8-5-9-24(25)30-18-19-6-3-2-4-7-19/h5,8-13,19,22H,2-4,6-7,14-18H2,1H3,(H,27,28)

InChIKey:

ZXTGHNQQRVHEIZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CN1CCC(CC1)Oc2ccc(cc2)c3[nH]nc4cccc(OCC5CCCCC5)c34
OpenEye OEToolkits 1.7.6	CN1CCC(CC1)Oc2ccc(cc2)c3c4c(cccc4OCC5CCCCC5)n[nH]3
ACDLabs 12.01	O(c4ccc(c2c3c(OCC1CCCCC1)cccc3nn2)cc4)C5CCN(C)CC5

Name:

4-(cyclohexylmethoxy)-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-2H-indazole

ZINC:

ZINC000098208000

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)(download the PDF file).

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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