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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02341557

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.73
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.73
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.73
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.7
ANCANTHRACEN-1-YLAMINEA,B1HN20.7
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.78
MGRMALACHITE GREENA,B3BQZ0.83
MGRMALACHITE GREENA1Q8N0.83
MGRMALACHITE GREENA,B3BR00.83
MGRMALACHITE GREENA,D,E3BTL0.83
MGRMALACHITE GREENA,B,D,E3BTC0.83
MGRMALACHITE GREENA,B,D,E1JUP0.83
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.78
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.72
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.88
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.72
DPKDEPRENYLA,B2BYB0.76
CVICRYSTAL VIOLETA,B,D,E1JTX0.83
IDMINDOLINEA,B3CEP0.81
IDMINDOLINEA1AEK0.81
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.75
34A3,4-DIMETHYLANILINEA1L4K0.78
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.86
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.73
1MRN-METHYLANILINEX2OTZ0.78
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.79
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.79
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.73
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.73
ISOPARA-ISOPROPYLANILINEA1BMA0.8
ISOPARA-ISOPROPYLANILINEA,B1ELC0.8
ISOPARA-ISOPROPYLANILINEA,B1ELB0.8
ISOPARA-ISOPROPYLANILINEA,B1ELA0.8
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.73
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.83
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.83
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.76
264(phenylamino)acetonitrileA2RBN0.74
271N-methyl-1-phenylmethanamineX2RBT0.73
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.71
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.72
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.72
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.72
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.78
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
NYLN-ALLYL-ANILINEA1OVK0.77
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.79
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.71
A8BA1ODC0.71
3NT3-NITROTOLUENEA,B2BMR0.71
3NT3-NITROTOLUENEA,B2HMO0.71
PRY2-PROPYL-ANILINEA1OWY0.82
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.79
XYD2,5-DIMETHYLANILINEA1L4L0.79
TSNTRICHOSTATIN AA,B1T640.7
TSNTRICHOSTATIN AA,B1C3R0.7
TSNTRICHOSTATIN AA,B,C3F0R0.7
TSNTRICHOSTATIN AA,B,C3C100.7