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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02323105

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
DENINDENEA183L0.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
FPRPROPYLBENZENEC1RHK0.77
MBNTOLUENEA,B3D7O0.74
MBNTOLUENEA,B1R1X0.74
MBNTOLUENEA,B1JLX0.74
MBNTOLUENEA,B,C,D3D170.74
MBNTOLUENEA,B2VRL0.74
MBNTOLUENEA,I2Z3E0.74
MBNTOLUENEA,B1YZI0.74
MBNTOLUENEA,B2DN10.74
MBNTOLUENEA,B3EN10.74
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
NPYNAPHTHALENEA,B1O7G0.78
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
PEYPHENANTHRENEA,B2HML0.74
PEYPHENANTHRENEA,B2HMK0.74
2HT3-methylbenzonitrileA,B3F880.82
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.85
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
AN3ANTHRACENEA,B2HMN0.74
AN3ANTHRACENEA,B2HMM0.74
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.73
N4BN-BUTYLBENZENEA186L0.77
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
I4BISOBUTYLBENZENEA184L0.8
BDBA,B1KE30.81