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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02186467

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
PXYPARA-XYLENEA187L0.78
PXYPARA-XYLENEA225L0.78
DENINDENEA183L0.73
I4BISOBUTYLBENZENEA184L0.78
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
NPYNAPHTHALENEA,B1O7G0.77
FPRPROPYLBENZENEC1RHK0.78
2HT3-methylbenzonitrileA,B3F880.86
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.7
AN3ANTHRACENEA,B2HMN0.75
AN3ANTHRACENEA,B2HMM0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.84
PEYPHENANTHRENEA,B2HML0.75
PEYPHENANTHRENEA,B2HMK0.75
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
BDBA,B1KE30.79
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.7
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
N4BN-BUTYLBENZENEA186L0.78