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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02098355

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.77
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.75
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.71
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.71
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.72
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
D4GA,B,C,D2FDY0.78
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
MILMILRINONEA,B1TLM0.73
RW14-phenylpyrimidineA,B,C3B9S0.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.7
APY2-AMINOMETHYL-PYRIDINEI1IVP0.7
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.76
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
CMW3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-
4-ylcarbamate
A2W0B0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.76
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.78
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.78
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.78
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.7
2862-ethenyl-1-methylpyridiniumX2RC20.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
ISQISOQUINOLINEA1GDK0.78
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
1SQISOQUINOLIN-1-AMINEA2OHK0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
NTNISONICOTINAMIDINEA7ADH0.74
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
1UW60.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.77
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.72
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.74
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.77