Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L91WNE
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| Ligand Name |
5-[Amino(imino)methyl]-2-[({[6-[3-amino-5-({[(1R)-1-methylpropyl]amino}carbonyl)phenyl]-3-(isopropylamino)-2-oxopyrazin-1(2H)-YL]acetyl}amino)methyl]-N-pyridin-4-ylbenzamide
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| Synonyms |
CHEMBL372240; 5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE; 1z6j; PY3; BDBM50167833; Q27464624; 3-amino-N-[(2R)-butan-2-yl]-5-(1-{[({4-carbamimidoyl-2-[(pyridin-4-yl)carbamoyl]phenyl}methyl)carbamoyl]methyl}-6-oxo-5-(propan-2-ylamino)-1,6-dihydropyrazin-2-yl)benzamide
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| Structure |
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Download2D MOL
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| Formula |
C34H40N10O4
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| Canonical SMILES |
CCC(C)NC(=O)C1=CC(=CC(=C1)C2=CN=C(C(=O)N2CC(=O)NCC3=C(C=C(C=C3)C(=N)N)C(=O)NC4=CC=NC=C4)NC(C)C)N
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| InChI |
1S/C34H40N10O4/c1-5-20(4)42-32(46)24-12-23(13-25(35)14-24)28-17-40-31(41-19(2)3)34(48)44(28)18-29(45)39-16-22-7-6-21(30(36)37)15-27(22)33(47)43-26-8-10-38-11-9-26/h6-15,17,19-20H,5,16,18,35H2,1-4H3,(H3,36,37)(H,39,45)(H,40,41)(H,42,46)(H,38,43,47)/t20-/m1/s1
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| InChIKey |
HLQIVSDFLBJBKY-HXUWFJFHSA-N
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| PubChem Compound ID | ||||
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