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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03523076

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.88
984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-[(1-METHYL)-PIPERIDIN]-4-YL-3-
PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-
2-YL}AMINE
A1PMN0.71
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.7
PRLPROFLAVINH,I1BCU0.73
PRLPROFLAVINA,B,D,E1QVT0.73
PRLPROFLAVINA,B2KD40.73
PRLPROFLAVINA1QVU0.73
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.75
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.76
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.76
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.74
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.74
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.82
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.82
RW14-phenylpyrimidineA,B,C3B9S0.73
26DPYRIDINE-2,6-DIAMINEA2ANZ0.75
880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-
4-YL]-PYRIMIDIN-2-YL}AMINE
A1PMQ0.7
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.8
2AQQUINOLIN-2-AMINEA2OHL0.84
C2M5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-
2,4-DIAMINE
A,B2AOV0.86
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE
A2B530.72
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.7
M031-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A,I2VO00.7
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol
A,B3B3M0.72
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.75
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.75
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.7
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.75
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.74
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.7
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.76
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.77
GP61-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREAA1BJU0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.88
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.88
EPJEPIBATIDINEA,B,C,D,E2BYQ0.75
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.7
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.72
TABACETIC ACID N-[2-CHLORO-5-[6-ETHYL-
2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-
[BENZYL-TRIAZEN-3-YL]ETHYL ESTER
A1VJ30.75
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.7
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.78
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.77
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.77
1SQISOQUINOLIN-1-AMINEA2OHK0.77
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A,B3GEQ0.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A2ZV90.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1QPE0.71
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.76
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.87
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.87
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE
A,B3E680.71
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BLA0.89
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A2BL90.89
CP65-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-
2,4-DIAMINE
A,B,C,D1J3J0.89
VGF1-(3,4-DICHLOROBENZYL)-7-PHENYL-
1H-BENZIMIDAZOL-2-AMINE
A,B,C,D2WD80.72
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.7
THATACRINEA,B2AOW0.74
THATACRINEA,B,C,D,E,F1MX10.74
THATACRINEA,B2AOX0.74
THATACRINEA1ACJ0.74
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO70.71
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO60.71
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.73
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.7