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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03264755

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.72
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.71
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.8
DEQDEQUALINIUMA,B,D,E1JT60.71
DEQDEQUALINIUMA,B,D,E3BR20.71
DEQDEQUALINIUMA1OYD0.71
DEQDEQUALINIUMA,B,D,E3BT90.71
DEQDEQUALINIUMA,B,D,E3BTJ0.71
DEQDEQUALINIUMA,B,D,E3BR10.71
ISQISOQUINOLINEA1GDK0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE
A2B530.73
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.79
THATACRINEA,B2AOW0.79
THATACRINEA,B,C,D,E,F1MX10.79
THATACRINEA,B2AOX0.79
THATACRINEA1ACJ0.79
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.72
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.72
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.77
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.73
RW14-phenylpyrimidineA,B,C3B9S0.72
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE
A,B2HWO0.72
2AQQUINOLIN-2-AMINEA2OHL0.89
QNC2-CARBONYLQUINOLINEA,B1MTB0.72
QNC2-CARBONYLQUINOLINEA,B2FGV0.72
QNC2-CARBONYLQUINOLINEI1IVQ0.72
QNC2-CARBONYLQUINOLINEA,B2FGU0.72
QNC2-CARBONYLQUINOLINEA1JLD0.72
QNC2-CARBONYLQUINOLINEA,B1HXB0.72
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3B3N0.71
JI2N-{(3S,4S)-4-[(6-aminopyridin-2-
yl)methyl]pyrrolidin-3-yl}ethane-
1,2-diamine
A,B3DQR0.71
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.72
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLC0.73
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE
A2BLB0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.73
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.72
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.73
1SQISOQUINOLIN-1-AMINEA2OHK0.77
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.7
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
A,B2G210.7
PRLPROFLAVINH,I1BCU0.76
PRLPROFLAVINA,B,D,E1QVT0.76
PRLPROFLAVINA,B2KD40.76
PRLPROFLAVINA1QVU0.76
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE
A,B1IA20.72
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.7
CLZ5-CHLORYL-2,4,6-QUINAZOLINETRIAMINEA,B1M780.75
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.7