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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01762752

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D4GA,B,C,D2FDY0.73
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.79
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.77
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.73
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.73
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.73
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
ISQISOQUINOLINEA1GDK0.71
4AP4-AMINOPYRIDINEA1AEG0.71
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.79
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
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.84
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.82
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.82
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.76
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.7
NTNISONICOTINAMIDINEA7ADH0.77
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.73
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.73
CM9CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-
1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
A2W090.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.72
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.72
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.72
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
1UW60.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.75
PY7PYRIDIN-4-YLMETHANOLA2EUR0.71
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
MILMILRINONEA,B1TLM0.8
PYS2-PYRIDINETHIOLA,B1CTE0.72
PYS2-PYRIDINETHIOLA2IPP0.72
NCANICOTINAMIDEA,B2E5D0.79
NCANICOTINAMIDEA,B,C,D2Z770.79
NCANICOTINAMIDEA,B1DMA0.79
NCANICOTINAMIDEA,B1ISM0.79
NCANICOTINAMIDEA,B1YC50.79
NCANICOTINAMIDEA2ZB70.79
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.79
NCANICOTINAMIDEA,B2QQG0.79
NCANICOTINAMIDEA2OTV0.79
NCANICOTINAMIDEA2QHF0.79
NCANICOTINAMIDEA,B,C,D2C8A0.79
NCANICOTINAMIDEA,B2HJH0.79
NCANICOTINAMIDEA2A150.79
NCANICOTINAMIDEA2R6V0.79
NCANICOTINAMIDEA,B1ISI0.79
NCANICOTINAMIDEA,D,E2R9J0.79
NCANICOTINAMIDEA2H4J0.79
NCANICOTINAMIDEA,B2OD90.79
NCANICOTINAMIDEA,B,C,D,E1YC20.79
NCANICOTINAMIDEA,B3DZG0.79
NCANICOTINAMIDEA1OJU0.79
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.74
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.74
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.74
BRT5-BROMONICOTINAMIDEA,B1GXZ0.71
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.71
APY2-AMINOMETHYL-PYRIDINEI1IVP0.71
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.7