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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02368560

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DPKDEPRENYLA,B2BYB0.9
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.74
DENINDENEA183L0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
N4BN-BUTYLBENZENEA186L0.82
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.74
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.81
PYLPHENYLETHANEC1B070.82
PYLPHENYLETHANEA,B2VRM0.82
PYLPHENYLETHANEA1NHB0.82
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.78
B2FPHENYLALANINE BORONIC ACIDA,P1P060.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.78
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.81
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.81
BDBA,B1KE30.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.83
PBN4-PHENYLBUTYLAMINEA1UTP0.83
PRA3-PHENYLPROPYLAMINEA1TNK0.83
PRA3-PHENYLPROPYLAMINEM1UTL0.83
NPYNAPHTHALENEA,B1O7G0.7
CPUA,B1CR60.72
BZZBENZYLHYDRAZINEA,B2E2V0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.79
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.79
ABNBENZYLAMINED,H2HXC0.79
ABNBENZYLAMINEA,I1A860.79
ABNBENZYLAMINEA1UTN0.79
ABNBENZYLAMINEA1N6X0.79
ABNBENZYLAMINEA2BZA0.79
ABNBENZYLAMINEA2EUS0.79
ABNBENZYLAMINEA1N6Y0.79
ABNBENZYLAMINEA1UTJ0.79
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
I4BISOBUTYLBENZENEA184L0.79
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
271N-methyl-1-phenylmethanamineX2RBT0.84
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
MBNTOLUENEA,B3D7O0.81
MBNTOLUENEA,B1R1X0.81
MBNTOLUENEA,B1JLX0.81
MBNTOLUENEA,B,C,D3D170.81
MBNTOLUENEA,B2VRL0.81
MBNTOLUENEA,I2Z3E0.81
MBNTOLUENEA,B1YZI0.81
MBNTOLUENEA,B2DN10.81
MBNTOLUENEA,B3EN10.81
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.84
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.77
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.77
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.82
PEA2-PHENYLETHYLAMINEA1TNJ0.82
PEA2-PHENYLETHYLAMINED,H2HKM0.82
PEA2-PHENYLETHYLAMINEA1UTO0.82
PEA2-PHENYLETHYLAMINEA,B1D6Y0.82
PEA2-PHENYLETHYLAMINEA,B1D6Z0.82
PEA2-PHENYLETHYLAMINEA,B1D6U0.82
PEA2-PHENYLETHYLAMINEA1UTM0.82
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.78
FPRPROPYLBENZENEC1RHK0.82
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.81
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.81
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.78
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.78
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.72
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.9
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.8
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.81
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.82
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.82
2HT3-methylbenzonitrileA,B3F880.76
OXEORTHO-XYLENEA,B3E0X0.79
OXEORTHO-XYLENEA188L0.79
PXYPARA-XYLENEA187L0.82
PXYPARA-XYLENEA225L0.82
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.77
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76