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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02920024

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
TNSA,B,L2G2R0.71
3AB3-aminobenzamideA,B,C,D3GOY0.72
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.72
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.7
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.76
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.73
AAHH1KEL0.71
AAHB,H1FL60.71
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.73
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.73
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.75
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.75
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.73
CRIA,B1VKG0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.75
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.82
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
NIT4-NITROANILINEC,D1RMH0.72
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.72
NIT4-NITROANILINEB1VBS0.72
NIT4-NITROANILINEC1V9T0.72
NIT4-NITROANILINEC,D1VBT0.72
NIT4-NITROANILINEB1LOP0.72
NIT4-NITROANILINEC,D1ZKF0.72
NIT4-NITROANILINEB1PIP0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.74
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.73
TTXTENTOXINB1KMH0.73
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.73
TSNTRICHOSTATIN AA,B1T640.73
TSNTRICHOSTATIN AA,B1C3R0.73
TSNTRICHOSTATIN AA,B,C3F0R0.73
TSNTRICHOSTATIN AA,B,C3C100.73
HFTHYDROXYFLUTAMIDEA2AX60.76
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.72
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.82
IDMINDOLINEA,B3CEP0.7
IDMINDOLINEA1AEK0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.83
PNZP-NITRO-BENZYLAMINEA,B2C700.83
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.71
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.71
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.71
CLMCHLORAMPHENICOLA1K010.71
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.71
CLMCHLORAMPHENICOLA2XAT0.71
CLMCHLORAMPHENICOLA4CLA0.71
CLMCHLORAMPHENICOLA1CLA0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.71
CLMCHLORAMPHENICOLA,B2UXP0.71
CLMCHLORAMPHENICOLA1QHS0.71
CLMCHLORAMPHENICOLA1QHY0.71
CLMCHLORAMPHENICOLA3CLA0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.7
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.7
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.77
TNL2,4,6-TRINITROTOLUENEA1GVR0.74
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71