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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02640681

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.75
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.79
TNSA,B,L2G2R0.79
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.73
AAHH1KEL0.76
AAHB,H1FL60.76
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.8
NINDINITROPHENYLENEA1RSM0.73
NINDINITROPHENYLENEA1GVY0.73
NINDINITROPHENYLENEA1GW10.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.85
PNZP-NITRO-BENZYLAMINEA,B2C700.85
3NT3-NITROTOLUENEA,B2BMR0.82
3NT3-NITROTOLUENEA,B2HMO0.82
PRY2-PROPYL-ANILINEA1OWY0.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.79
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.75
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.73
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.73
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.74
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.82
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.71
NBZNITROBENZENEA,B2BMQ0.75
NBZNITROBENZENEA,B3BGU0.75
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.8
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.75
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.7
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.7
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
DPKDEPRENYLA,B2BYB0.72
34A3,4-DIMETHYLANILINEA1L4K0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.77
CVICRYSTAL VIOLETA,B,D,E1JTX0.75
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.73