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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02818259

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
NTNISONICOTINAMIDINEA7ADH0.79
2AP2-AMINOPYRIDINEA1AEO0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.73
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.87
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.87
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.87
4AP4-AMINOPYRIDINEA1AEG0.76
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.74
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
E1YDT0.71
IQBN-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-
5-ISOQUINOLINE SULFONAMIDE
A3FMD0.71
D4GA,B,C,D2FDY0.84
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.7
PY7PYRIDIN-4-YLMETHANOLA2EUR0.7
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A1Q8U0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A,B3D9V0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNH0.71
H52(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-
HOMOPIPERAZINE
A2GNL0.71
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.75
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.94
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
A2J9M0.71
PYS2-PYRIDINETHIOLA,B1CTE0.87
PYS2-PYRIDINETHIOLA2IPP0.87
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.72
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.76
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.76
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.76
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.76
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.78
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.73
3MP3-METHYLPYRIDINEA1EUB0.8
3MP3-METHYLPYRIDINEA1BM60.8
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.74
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.73
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.73
ISQISOQUINOLINEA1GDK0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.73
3AP3-AMINOPYRIDINEA1AEF0.76
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.81
2862-ethenyl-1-methylpyridiniumX2RC20.77
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.7
NCANICOTINAMIDEA,B2E5D0.71
NCANICOTINAMIDEA,B,C,D2Z770.71
NCANICOTINAMIDEA,B1DMA0.71
NCANICOTINAMIDEA,B1ISM0.71
NCANICOTINAMIDEA,B1YC50.71
NCANICOTINAMIDEA2ZB70.71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.71
NCANICOTINAMIDEA,B2QQG0.71
NCANICOTINAMIDEA2OTV0.71
NCANICOTINAMIDEA2QHF0.71
NCANICOTINAMIDEA,B,C,D2C8A0.71
NCANICOTINAMIDEA,B2HJH0.71
NCANICOTINAMIDEA2A150.71
NCANICOTINAMIDEA2R6V0.71
NCANICOTINAMIDEA,B1ISI0.71
NCANICOTINAMIDEA,D,E2R9J0.71
NCANICOTINAMIDEA2H4J0.71
NCANICOTINAMIDEA,B2OD90.71
NCANICOTINAMIDEA,B,C,D,E1YC20.71
NCANICOTINAMIDEA,B3DZG0.71
NCANICOTINAMIDEA1OJU0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.8
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.79
APY2-AMINOMETHYL-PYRIDINEI1IVP0.79
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.76