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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01725390

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.79
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.76
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.76
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.79
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
271N-methyl-1-phenylmethanamineX2RBT0.76
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.8
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.79
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.79
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
DPKDEPRENYLA,B2BYB0.75
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.74
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.76
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.76
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.76
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
CPUA,B1CR60.76
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
BDBA,B1KE30.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
NPYNAPHTHALENEA,B1O7G0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.71
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.7