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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000617

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.76
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.77
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.77
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.74
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.79
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
DPKDEPRENYLA,B2BYB0.71
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
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.81
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
271N-methyl-1-phenylmethanamineX2RBT0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.75
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.81
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.75
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.75
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
LY18,9-DICHLORO-2,3,4,5-TETRAHYDRO-
1H-BENZO[C]AZEPINE
A,B1N7I0.84
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.7
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.87
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.79
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.7
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7