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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049755

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.7
D4GA,B,C,D2FDY0.73
2862-ethenyl-1-methylpyridiniumX2RC20.82
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.71
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.7
3AP3-AMINOPYRIDINEA1AEF0.78
PHN1,10-PHENANTHROLINEA1LIH0.84
PHN1,10-PHENANTHROLINEA2LIG0.84
PHN1,10-PHENANTHROLINEA,B2FU70.84
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.74
ISQISOQUINOLINEA1GDK0.76
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.76
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
NTNISONICOTINAMIDINEA7ADH0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.71
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.76
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.75
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.84
PYS2-PYRIDINETHIOLA,B1CTE0.71
PYS2-PYRIDINETHIOLA2IPP0.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.84
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.81
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.81
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.73
1SQISOQUINOLIN-1-AMINEA2OHK0.71
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.73
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.75
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.82
APY2-AMINOMETHYL-PYRIDINEI1IVP0.82
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.77
5IQISOQUINOLIN-5-AMINEA,B2F2T0.77
QUI2-CARBOXYQUINOXALINEA1PFE0.78
QUI2-CARBOXYQUINOXALINEA,B2DA80.78
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.78
QUI2-CARBOXYQUINOXALINEA1VS20.78
QUI2-CARBOXYQUINOXALINEA1XVN0.78
QUI2-CARBOXYQUINOXALINEA,B185D0.78
QUI2-CARBOXYQUINOXALINEA1XVK0.78
QUI2-CARBOXYQUINOXALINEA,C1XVR0.78
QUI2-CARBOXYQUINOXALINEA,B3GO30.78
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.75
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.75
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
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.82
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.78
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.78
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
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
4AP4-AMINOPYRIDINEA1AEG0.73