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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01536528

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE
A,B1IA30.74
HM53-[(2,2-DIMETHYLPROPANOYL)AMINO]-
N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
A2NQ70.72
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE
A,B2HWO0.73
MRK2-AMINO-4-FLUORO-5-[(1-METHYL-1H-
IMIDAZOL-2-YL)SULFANYL]-N-(1,3-
THIAZOL-2-YL)BENZAMIDE
A3F9M0.7
MRK2-AMINO-4-FLUORO-5-[(1-METHYL-1H-
IMIDAZOL-2-YL)SULFANYL]-N-(1,3-
THIAZOL-2-YL)BENZAMIDE
A1V4S0.7
TQ65-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-
2,4-QUINAZOLINEDIAMINE
A,B1IA40.71
NZOnocodazoleA,B3EE20.71
S986-amino-2-[(thiophen-2-ylmethyl)amino]-
1,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one
A3C2Z0.75
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.77
AJI3-[(4-fluorophenyl)sulfanyl]-N-
(4-methyl-1,3-thiazol-2-yl)-6-[(4-
methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-
2-carboxamide
X3A0I0.7
G95N-[(1S)-2-amino-1-phenylethyl]-
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-
2-carboxamide
A,B3E870.71
QINN-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-
2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-
6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
A2OAH0.74
1N1N-(2-CHLORO-6-METHYLPHENYL)-2-({6-
[4-(2-HYDROXYETHYL)PIPERAZIN-1-
YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-
1,3-THIAZOLE-5-CARBOXAMIDE
A,B2GQG0.71
1N1N-(2-CHLORO-6-METHYLPHENYL)-2-({6-
[4-(2-HYDROXYETHYL)PIPERAZIN-1-
YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-
1,3-THIAZOLE-5-CARBOXAMIDE
A2ZVA0.71
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide
A,B2VQV0.73
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide
A2VQM0.73
737N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-
BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-
YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-
1-YL}-ACETAMIDE
A1ZTL0.72
1IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1N0.74
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE
A,B1IA20.76
6852-{2-[(3,5-dimethylphenyl)amino]pyrimidin-
4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-
4-methyl-1,3-thiazole-5-carboxamide
A3EMG0.76
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID
A1RWO0.7
304N-[2-methyl-5-(methylcarbamoyl)phenyl]-
2-{[(1R)-1-methylpropyl]amino}-
1,3-thiazole-5-carboxamide
A3BX50.73
AX56-(benzylsulfanyl)pyrimidine-2,4-
diamine
A,B,C,D3BMQ0.7
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.72
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.72
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.76
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID
A1RWM0.7
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE
A,B1FPU0.71
B18(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-
1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-
6-CARBOXAMIDE
A,B,C2PZY0.73
LOI2-(methylamino)-N-(4-methyl-1,3-
thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-
triazol-3-yl)sulfanyl]benzamide
A3GOI0.73
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE
A2J5E0.73
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.71
AK21-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-
d]pyrimidin-4-ylamino)ethyl]-1,3-
thiazol-2-yl}urea
A3D150.71
796N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-
5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-
2-CARBOXAMIDE
A2GU80.74
P4T2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLEA2VBA0.72
O163-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-
DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-
6-YL)-5-[(E)-2-PHENYLVINYL]-3H-
TETRAAZOL-2-IUM
A,B,C,D1V400.7
AJB2-amino-N-(4-methyl-1,3-thiazol-
2-yl)-5-[(4-methyl-4H-1,2,4-triazol-
3-yl)sulfanyl]benzamide
A3FR00.73