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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03047952

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.79
A8BA1ODC0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.73
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.74
9AP9-AMINOPHENANTHRENEA1EGY0.7
5CYN,N'-(dipropyl)-tetramethylindodicarbocyanineC3BEP0.71
264(phenylamino)acetonitrileA2RBN0.71
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.73
PYQPYROQUILONA1JA90.73
PYQPYROQUILONA,B,C,D1G0O0.73
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.74
IDMINDOLINEA,B3CEP0.88
IDMINDOLINEA1AEK0.88
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.72
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.79
PRY2-PROPYL-ANILINEA1OWY0.71
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEC1LXF0.73
BEP1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANEA1DTL0.73
NYLN-ALLYL-ANILINEA1OVK0.73
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
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
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.83
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.74
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.74
MGRMALACHITE GREENA,B3BQZ0.73
MGRMALACHITE GREENA1Q8N0.73
MGRMALACHITE GREENA,B3BR00.73
MGRMALACHITE GREENA,D,E3BTL0.73
MGRMALACHITE GREENA,B,D,E3BTC0.73
MGRMALACHITE GREENA,B,D,E1JUP0.73
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.76
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.7
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.7
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2Q6H0.72
CXX3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
A2QEI0.72
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.78
CVICRYSTAL VIOLETA,B,D,E1JTX0.73
34A3,4-DIMETHYLANILINEA1L4K0.71
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
1MRN-METHYLANILINEX2OTZ0.71