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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323167

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.78
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.77
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.79
NYLN-ALLYL-ANILINEA1OVK0.8
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.75
XYD2,5-DIMETHYLANILINEA1L4L0.75
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.7
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.74
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.7
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.7
PYQPYROQUILONA1JA90.72
PYQPYROQUILONA,B,C,D1G0O0.72
34A3,4-DIMETHYLANILINEA1L4K0.75
2MI2-METHYL-1H-INDOLEA2PIO0.72
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.71
A8BA1ODC0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.73
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.7
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.71
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.7
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.75
MGRMALACHITE GREENA,B3BQZ0.71
MGRMALACHITE GREENA1Q8N0.71
MGRMALACHITE GREENA,B3BR00.71
MGRMALACHITE GREENA,D,E3BTL0.71
MGRMALACHITE GREENA,B,D,E3BTC0.71
MGRMALACHITE GREENA,B,D,E1JUP0.71
1MRN-METHYLANILINEX2OTZ0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
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
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.71
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.71
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
271N-methyl-1-phenylmethanamineX2RBT0.73
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.71
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.77
IDMINDOLINEA,B3CEP0.95
IDMINDOLINEA1AEK0.95
ISNISATINA,B1OJA0.71
ISNISATINA,B2BK50.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.81
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
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.71
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.77
264(phenylamino)acetonitrileA2RBN0.77
ISOPARA-ISOPROPYLANILINEA1BMA0.79
ISOPARA-ISOPROPYLANILINEA,B1ELC0.79
ISOPARA-ISOPROPYLANILINEA,B1ELB0.79
ISOPARA-ISOPROPYLANILINEA,B1ELA0.79