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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03158332

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
BNFN-BENZYLFORMAMIDEA,B1U3U0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.77
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.8
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.8
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.8
271N-methyl-1-phenylmethanamineX2RBT0.8
CPUA,B1CR60.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.75
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.76
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.76
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.72
ANCANTHRACEN-1-YLAMINEA,B1GT10.73
ANCANTHRACEN-1-YLAMINEA,B1HN20.73
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.7
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.73
9AP9-AMINOPHENANTHRENEA1EGY0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.78
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.8
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.74
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.82
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.8
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.72
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
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.81
AO1(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-
((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE
A1R5G0.7
SKA7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINEA,B1YZ30.71
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.74
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.83
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.82
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.7
DPKDEPRENYLA,B2BYB0.77
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.75
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.75
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.75
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.8
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.8
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.8
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.8
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.8
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.76