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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03161238

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
1UW60.83
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.83
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.83
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.91
2862-ethenyl-1-methylpyridiniumX2RC20.82
PY7PYRIDIN-4-YLMETHANOLA2EUR0.77
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
PYS2-PYRIDINETHIOLA,B1CTE0.82
PYS2-PYRIDINETHIOLA2IPP0.82
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.76
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
PYF3-PYRIDINYLCARBINOLA,B1R160.73
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.74
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.72
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
NTNISONICOTINAMIDINEA7ADH0.83
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.77
APY2-AMINOMETHYL-PYRIDINEI1IVP0.77
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.81
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.81
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.8
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
RW14-phenylpyrimidineA,B,C3B9S0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
3AP3-AMINOPYRIDINEA1AEF0.73
NCANICOTINAMIDEA,B2E5D0.72
NCANICOTINAMIDEA,B,C,D2Z770.72
NCANICOTINAMIDEA,B1DMA0.72
NCANICOTINAMIDEA,B1ISM0.72
NCANICOTINAMIDEA,B1YC50.72
NCANICOTINAMIDEA2ZB70.72
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.72
NCANICOTINAMIDEA,B2QQG0.72
NCANICOTINAMIDEA2OTV0.72
NCANICOTINAMIDEA2QHF0.72
NCANICOTINAMIDEA,B,C,D2C8A0.72
NCANICOTINAMIDEA,B2HJH0.72
NCANICOTINAMIDEA2A150.72
NCANICOTINAMIDEA2R6V0.72
NCANICOTINAMIDEA,B1ISI0.72
NCANICOTINAMIDEA,D,E2R9J0.72
NCANICOTINAMIDEA2H4J0.72
NCANICOTINAMIDEA,B2OD90.72
NCANICOTINAMIDEA,B,C,D,E1YC20.72
NCANICOTINAMIDEA,B3DZG0.72
NCANICOTINAMIDEA1OJU0.72
ISQISOQUINOLINEA1GDK0.8
MILMILRINONEA,B1TLM0.75
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.71
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.77
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.71
D4GA,B,C,D2FDY0.82
1SQISOQUINOLIN-1-AMINEA2OHK0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
3MP3-METHYLPYRIDINEA1EUB0.88
3MP3-METHYLPYRIDINEA1BM60.88
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.75
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.75
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.84
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.84
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.84
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.71
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
2AP2-AMINOPYRIDINEA1AEO0.71
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
4AP4-AMINOPYRIDINEA1AEG0.75
EPJEPIBATIDINEA,B,C,D,E2BYQ0.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.79
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.76
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.79
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.75
MYTMETYRAPONEA1PHG0.7
MYTMETYRAPONEA1W0G0.7