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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03212379

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.84
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.79
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
MGRMALACHITE GREENA,B3BQZ0.82
MGRMALACHITE GREENA1Q8N0.82
MGRMALACHITE GREENA,B3BR00.82
MGRMALACHITE GREENA,D,E3BTL0.82
MGRMALACHITE GREENA,B,D,E3BTC0.82
MGRMALACHITE GREENA,B,D,E1JUP0.82
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.82
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.82
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.82
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.72
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAR0.72
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAS0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.72
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.78
1MRN-METHYLANILINEX2OTZ0.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.82
A8BA1ODC0.72
34A3,4-DIMETHYLANILINEA1L4K0.77
NYLN-ALLYL-ANILINEA1OVK0.71
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.84
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.79
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.75
PRY2-PROPYL-ANILINEA1OWY0.76
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.85
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.76
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.82
9AP9-AMINOPHENANTHRENEA1EGY0.79
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.75
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.74
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.74
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE
A,B2DOO0.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.8
ANCANTHRACEN-1-YLAMINEA,B1HN20.8
264(phenylamino)acetonitrileA2RBN0.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.77
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.77
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.81
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.81