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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03337434

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
9AP9-AMINOPHENANTHRENEA1EGY0.72
TNSA,B,L2G2R0.71
FEXA1OSH0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.84
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.84
A8BA1ODC0.74
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.92
1MRN-METHYLANILINEX2OTZ0.73
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.73
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.74
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.73
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.7
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.88
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.86
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
PRY2-PROPYL-ANILINEA1OWY0.75
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.7
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.7
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.7
DPKDEPRENYLA,B2BYB0.71
34A3,4-DIMETHYLANILINEA1L4K0.77
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.79
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.74
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.7
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.8
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.79
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.79
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
5CYN,N'-(dipropyl)-tetramethylindodicarbocyanineC3BEP0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.8
ISOPARA-ISOPROPYLANILINEA,B1ELC0.8
ISOPARA-ISOPROPYLANILINEA,B1ELB0.8
ISOPARA-ISOPROPYLANILINEA,B1ELA0.8
IDMINDOLINEA,B3CEP0.75
IDMINDOLINEA1AEK0.75
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.73
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.73
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.73
MGRMALACHITE GREENA,B3BQZ0.89
MGRMALACHITE GREENA1Q8N0.89
MGRMALACHITE GREENA,B3BR00.89
MGRMALACHITE GREENA,D,E3BTL0.89
MGRMALACHITE GREENA,B,D,E3BTC0.89
MGRMALACHITE GREENA,B,D,E1JUP0.89
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.71
TSNTRICHOSTATIN AA,B1T640.72
TSNTRICHOSTATIN AA,B1C3R0.72
TSNTRICHOSTATIN AA,B,C3F0R0.72
TSNTRICHOSTATIN AA,B,C3C100.72
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID
A1B8Y0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.77
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.72
NYLN-ALLYL-ANILINEA1OVK0.72
CVICRYSTAL VIOLETA,B,D,E1JTX0.89
264(phenylamino)acetonitrileA2RBN0.72
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.7