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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00135775

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRLPROFLAVINH,I1BCU0.75
PRLPROFLAVINA,B,D,E1QVT0.75
PRLPROFLAVINA,B2KD40.75
PRLPROFLAVINA1QVU0.75
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.73
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.73
AP62,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINEA,B1DMK0.71
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.75
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.71
RW14-phenylpyrimidineA,B,C3B9S0.74
CY0S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-
3-OXOPROPYL}-L-CYSTEINE
A2J5E0.76
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.83
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.7
AX56-(benzylsulfanyl)pyrimidine-2,4-
diamine
A,B,C,D3BMQ0.75
2AQQUINOLIN-2-AMINEA2OHL0.78
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE
A,C2JC60.72
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE
A,B1IA20.8
MOJ(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-
3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-
5(6H)-one oxime
A3FT80.71
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE
A,B,C5STD0.74
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.7
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.72
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE
A,B2G220.73
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE
A,B2HWO0.78
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.71
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.71
C523-(2-aminoquinazolin-6-yl)-4-methyl-
1-[3-(trifluoromethyl)phenyl]pyridin-
2(1H)-one
A,B3CPC0.75
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE
A,B2IKU0.74
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.72
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE
A1SQO0.73
LUMLUMICHROMEA2CC60.7
LUMLUMICHROMEA,B1S4M0.7
LUMLUMICHROMEA2CC70.7
LUMLUMICHROMEA1HE50.7
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.7
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE
A2J5F0.74
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE
A,B2HWP0.74
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.83
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.7
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.7
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,B2G1N0.76
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.72
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.72
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
A,B2G210.73
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.73
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.77
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide
A,B2QQ70.73
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide
A,B2QLQ0.73
C193-(2-aminoquinazolin-6-yl)-1-(3,3-
dimethylindolin-6-yl)-4-methylpyridin-
2(1H)-one
A,B3CP90.72
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.73
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.7
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.71
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.75
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE
A2B530.79
MO84-methyl-7,8-dihydro-5H-thiopyrano[4,3-
d]pyrimidin-2-amine
A3FT50.71
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.73
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.78
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.78
TQ65-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-
2,4-QUINAZOLINEDIAMINE
A,B1IA40.73
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.7
THATACRINEA,B2AOW0.75
THATACRINEA,B,C,D,E,F1MX10.75
THATACRINEA,B2AOX0.75
THATACRINEA1ACJ0.75
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.8
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.74
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.74
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE
A,B1IA30.79
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BLA0.73
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BL90.73
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A,B,C,D1J3J0.73
C2M5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-
2,4-DIAMINE
A,B2AOV0.71
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.73
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.73
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.7
2423-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-
N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2OFV0.73
AX46-[(4-methylphenyl)sulfanyl]pyrimidine-
2,4-diamine
A,B,C,D3BMO0.74