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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02236182

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.81
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.71
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.71
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE
A1SQO0.72
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.74
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.76
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.76
2AQQUINOLIN-2-AMINEA2OHL0.74
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.74
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.74
LZJ6-(2,6-dibromophenyl)pyrido[2,3-
d]pyrimidine-2,7-diamine
A,B2V580.73
GVK6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-
4-YL]PHENYL}-9H-PURINE
A2UW00.71
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.72
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.73
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO70.77
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO60.77
C2M5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-
2,4-DIAMINE
A,B2AOV0.7
1SQISOQUINOLIN-1-AMINEA2OHK0.87
M031-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A,I2VO00.77
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.72
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.76
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.71
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.71
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.71
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.71
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.77
J074-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-
2-yl]amino}-N-ethylpiperidine-1-
carboxamide
A2P330.71
QGG1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-
7-YL}SULFONYL)-D-PROLINE
A,B,C,D,E,F2VNT0.72
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.75
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.75
LZL7-(2,5-dihydropyrrol-1-yl)-6-phenyl-
pyrido[6,5-d]pyrimidin-2-amine
A,B2V5A0.76
NTNISONICOTINAMIDINEA7ADH0.72
ISQISOQUINOLINEA1GDK0.77
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.76
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.79
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.71
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.71
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BLA0.72
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BL90.72
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A,B,C,D1J3J0.72
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
SC85-(2,3-dichlorophenyl)-N-(pyridin-
4-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3F0.71
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.76
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.75
EPJEPIBATIDINEA,B,C,D,E2BYQ0.77
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.75
ABZ4-[4-AMINO-6-(5-CHLORO-1H-INDOL-
4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-
BENZONITRILE
A1S9G0.73
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.81
RW14-phenylpyrimidineA,B,C3B9S0.71
2AP2-AMINOPYRIDINEA1AEO0.76
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
M041-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A2VO30.77