D15

N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide

Created:	2008-06-30
Last modified:	2011-06-04

Find Related PDB Entry
3 entries where D15 is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	57
Aromatic Bond Count	22

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
Systematic Name (OpenEye OEToolkits)	N-[5-[[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino]-1H-indazol-3-yl]benzamide
Formula	C₂₄ H₂₂ Cl N₅ O₂
Molecular Weight	447.917
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cccc(c1)C(C(=O)Nc2cc3c(cc2)nnc3NC(=O)c4ccccc4)CCN
SMILES	CACTVS	3.341	NCC[CH](C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c4cccc(Cl)c4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)C(CCN)c4cccc(c4)Cl
Canonical SMILES	CACTVS	3.341	NCC[C@H](C(=O)Nc1ccc2[nH]nc(NC(=O)c3ccccc3)c2c1)c4cccc(Cl)c4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(=O)Nc2c3cc(ccc3[nH]n2)NC(=O)[C@@H](CCN)c4cccc(c4)Cl
InChI	InChI	1.03	InChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)/t19-/m0/s1
InChIKey	InChI	1.03	JDGOPNUGILVNJZ-IBGZPJMESA-N

Drug Info: DrugBank

DrugBank ID	DB07608
Name	N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
Groups	experimental
Synonyms	N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	MHTGGETSACKPSSVRLAPSFSFHAAGLQMAGQMPHSHQYSDRRQPNISD...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682