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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00359445

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.89
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.8
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.8
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.72
S27N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-
4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
A,B1B3D0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.86
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.77
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
DR15-METHYL-5H-INDOLO[3,2-B]QUINOLINEA1K9G0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.71
CPUA,B1CR60.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.73
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.87
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.7
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.79
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
PZQPRAZIQUANTELA1GTB0.76
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.76
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
DPKDEPRENYLA,B2BYB0.86
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.79
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.83
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.77
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.77
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
271N-methyl-1-phenylmethanamineX2RBT0.78
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.73
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7