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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03640280

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MILMILRINONEA,B1TLM0.72
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.76
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.76
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.76
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.76
4AP4-AMINOPYRIDINEA1AEG0.76
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.84
3MP3-METHYLPYRIDINEA1EUB0.84
3MP3-METHYLPYRIDINEA1BM60.84
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
26DPYRIDINE-2,6-DIAMINEA2ANZ0.75
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.72
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
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
1UW60.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.79
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.79
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
PY7PYRIDIN-4-YLMETHANOLA2EUR0.74
PYF3-PYRIDINYLCARBINOLA,B1R160.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.84
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
D4GA,B,C,D2FDY0.77
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.74
DA1PYRIDINE-2,5-DIAMINEA2AQD0.79
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.71
NTNISONICOTINAMIDINEA7ADH0.91
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.85
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.85
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.7
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.7
ISQISOQUINOLINEA1GDK0.77
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.78
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.7
3AP3-AMINOPYRIDINEA1AEF0.76
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
2862-ethenyl-1-methylpyridiniumX2RC20.75
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.71
2AP2-AMINOPYRIDINEA1AEO0.79
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.73
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.79
APY2-AMINOMETHYL-PYRIDINEI1IVP0.79
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.76
PYS2-PYRIDINETHIOLA,B1CTE0.78
PYS2-PYRIDINETHIOLA2IPP0.78
RW14-phenylpyrimidineA,B,C3B9S0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.75
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.72
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
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.78