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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03499958

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2071-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINEA1H0W0.72
77A1-(5-CHLORO-2-METHOXYPHENYL)-3-
{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-
2-YL}UREA
A2E9P0.72
N763-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)-BENZENESULFONAMIDE
A,B,C,D1OIU0.72
IHI9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-
1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-
2-CARBONITRILE
A1U9W0.73
S221-(4-(4-(2-(isopropylsulfonyl)phenylamino)-
1H-pyrrolo[2,3-b]pyridin-6-ylamino)-
3-methoxyphenyl)piperidin-4-ol
A3GFW0.71
AK53-({3-[(6-amino-5-bromopyrimidin-
4-yl)sulfanyl]propanoyl}amino)-
4-methoxy-N-phenylbenzamide
A3DJ50.72
A421-(5-CHLORO-2,4-DIMETHOXYPHENYL)-
3-(5-CYANOPYRAZIN-2-YL)UREA
A2YWP0.71
4SPA2C6O0.71
4SPA,B,C,D2IW80.71
4SPA,C1H1S0.71
4SPA,B,C,D2IW90.71
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.71
6CPA,C1H1R0.76
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.72
7X5N'-(5-chloro-1,3-benzodioxol-4-
yl)-N-(3-methylsulfonylphenyl)pyrimidine-
2,4-diamine
A2VWY0.73
LIE2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-
9-ISOPROPYL-9H-PURIN-8-AMINE
A2GTN0.71
6633-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-
2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-
4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-
2-CARBOXAMIDE
B2P3U0.72
A2518-CHLORO-11,12,13,14-TETRAHYDRO-
1H,10H-8,4-(AZENO)-9,15,1,3,6-BENZODIOXATRIAZACYCLOHEPTADECIN-
2-ONE
A2E9U0.71
IHJ9-CYCLOPENTYL-6-{2-[3-(4-METHYL-
PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-
9H-PURINE-2-CARBONITRILE
A1U9X0.74
9933-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-
1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-
CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-
6-METHOXY-PHENYL]-AMIDE
B2P3T0.72
NU53-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-
9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-
1-OL
A,C2G9X0.73
H718-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-
9-[3-(ISOPROPYLAMINO)PROPYL]-9H-
PURIN-6-AMINE
A2FWZ0.73
AK64-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-
b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
A3DJ60.72
LIB3-(2-CHLOROPHENYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA
A2GHL0.71
0392-((9H-PURIN-6-YLTHIO)METHYL)-5-
CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-
4(3H)-ONE
A2CHW0.85
GW7N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-
6-ethylthieno[3,2-d]pyrimidin-4-
amine
A,B2R4B0.73
N206-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINEA,B,C,D1OI90.73
GS72-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-
7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
A3ELJ0.7
7X43-({4-[(5-chloro-1,3-benzodioxol-
4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide
A2VWX0.7
2A62-ANILINO-6-CYCLOHEXYLMETHOXYPURINEA,C1H1Q0.71