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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00064943

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.81
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.8
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.8
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.73
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.79
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
2AQQUINOLIN-2-AMINEA2OHL0.7
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.72
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.73
1SQISOQUINOLIN-1-AMINEA2OHK0.79
D4GA,B,C,D2FDY0.77
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.75
2862-ethenyl-1-methylpyridiniumX2RC20.71
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.72
1074-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-
8-YLMETHYL)-AMINO]-N-PYRIDIN-2-
YL-BENZENESULFONAMIDE
A,C1FVV0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.7
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.7
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.7
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.72
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.72
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.72
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.72
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.77
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.72
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.72
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.81
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.7
3495-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-1,3-dihydro-2H-indol-
2-one
A3ET70.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.71
U324-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDEA2BTS0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.79
BII2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-
4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-
1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-
4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE
A2JKM0.73
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.77
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.72
2AP2-AMINOPYRIDINEA1AEO0.8
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A2RHQ0.75
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A,B,C,D2RHS0.75
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.73
P1E4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-N-methylbenzenesulfonamide
A3H3C0.78
PY86-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-
1(18),3(19),4,6,14,16-HEXAENE 13,13-
DIOXIDE
A2J9M0.84
FRTN-(2-METHOXYETHYL)-4-({4-[2-METHYL-
1-(1-METHYLETHYL)-1H-IMIDAZOL-5-
YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
A2W050.75
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.86
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.81
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.79
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.83
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.77
NTNISONICOTINAMIDINEA7ADH0.74
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.73
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.71
RW14-phenylpyrimidineA,B,C3B9S0.71
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.77
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.77
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.77
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.7
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.77
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.76
26DPYRIDINE-2,6-DIAMINEA2ANZ0.76
DA1PYRIDINE-2,5-DIAMINEA2AQD0.8