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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02179680

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.88
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
NPYNAPHTHALENEA,B1O7G0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.8
BDBA,B1KE30.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.71
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.71
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.76
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.86
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.72
PRA3-PHENYLPROPYLAMINEA1TNK0.82
PRA3-PHENYLPROPYLAMINEM1UTL0.82
PBN4-PHENYLBUTYLAMINEA1TNI0.82
PBN4-PHENYLBUTYLAMINEA1UTP0.82
CPUA,B1CR60.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
BZZBENZYLHYDRAZINEA,B2E2V0.72
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.78
DPKDEPRENYLA,B2BYB0.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.76
FBA4-FLUOROBENZYLAMINEA1TNH0.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.83
PEA2-PHENYLETHYLAMINEA1TNJ0.83
PEA2-PHENYLETHYLAMINED,H2HKM0.83
PEA2-PHENYLETHYLAMINEA1UTO0.83
PEA2-PHENYLETHYLAMINEA,B1D6Y0.83
PEA2-PHENYLETHYLAMINEA,B1D6Z0.83
PEA2-PHENYLETHYLAMINEA,B1D6U0.83
PEA2-PHENYLETHYLAMINEA1UTM0.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
271N-methyl-1-phenylmethanamineX2RBT0.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
AN3ANTHRACENEA,B2HMN0.73
AN3ANTHRACENEA,B2HMM0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.79
PEYPHENANTHRENEA,B2HML0.73
PEYPHENANTHRENEA,B2HMK0.73
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.75
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.81
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.81
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.8
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.8
B2FPHENYLALANINE BORONIC ACIDA,P1P060.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.8
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.8