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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00466091

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CKIN-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-
8-SULFONAMIDE
A2CSN0.75
4AP4-AMINOPYRIDINEA1AEG0.79
3AP3-AMINOPYRIDINEA1AEF0.77
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
2AP2-AMINOPYRIDINEA1AEO0.75
3MP3-METHYLPYRIDINEA1EUB0.84
3MP3-METHYLPYRIDINEA1BM60.84
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.82
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.82
NCANICOTINAMIDEA,B2E5D0.74
NCANICOTINAMIDEA,B,C,D2Z770.74
NCANICOTINAMIDEA,B1DMA0.74
NCANICOTINAMIDEA,B1ISM0.74
NCANICOTINAMIDEA,B1YC50.74
NCANICOTINAMIDEA2ZB70.74
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.74
NCANICOTINAMIDEA,B2QQG0.74
NCANICOTINAMIDEA2OTV0.74
NCANICOTINAMIDEA2QHF0.74
NCANICOTINAMIDEA,B,C,D2C8A0.74
NCANICOTINAMIDEA,B2HJH0.74
NCANICOTINAMIDEA2A150.74
NCANICOTINAMIDEA2R6V0.74
NCANICOTINAMIDEA,B1ISI0.74
NCANICOTINAMIDEA,D,E2R9J0.74
NCANICOTINAMIDEA2H4J0.74
NCANICOTINAMIDEA,B2OD90.74
NCANICOTINAMIDEA,B,C,D,E1YC20.74
NCANICOTINAMIDEA,B3DZG0.74
NCANICOTINAMIDEA1OJU0.74
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.77
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.72
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
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
1UW60.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.79
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.77
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.77
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.77
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.77
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.77
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.77
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.79
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.81
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.79
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.74
PY7PYRIDIN-4-YLMETHANOLA2EUR0.75
MILMILRINONEA,B1TLM0.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.72
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.74
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.8
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
EPJEPIBATIDINEA,B,C,D,E2BYQ0.84
736(11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2-
B]PYRIDINE
B2BED0.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.78
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
ISQISOQUINOLINEA1GDK0.77
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.73
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.7
NTNISONICOTINAMIDINEA7ADH0.86
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.81
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.74
2862-ethenyl-1-methylpyridiniumX2RC20.77
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.73
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.77
D4GA,B,C,D2FDY0.76
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.81
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.81
APY2-AMINOMETHYL-PYRIDINEI1IVP0.81
PYF3-PYRIDINYLCARBINOLA,B1R160.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.73
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.74
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.8
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.8