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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00101026

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.7
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.75
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.78
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.78
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.78
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.77
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.73
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.73
CPUA,B1CR60.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.72
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.76
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
DPKDEPRENYLA,B2BYB0.74
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.71
MM51,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-
TETRAAZACYCLOTETRADECANE]NI(II)
A2H9J0.73
PZQPRAZIQUANTELA1GTB0.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.78
MM21,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-
TETRAAZA-CYCLOTETRADECANE]CU(II)2
A1YIL0.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.7
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.7
271N-methyl-1-phenylmethanamineX2RBT0.77
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.72
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.78
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.78
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
QN2N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-
(4-iodobenzyl)benzenesulfonamide]
A,B2QNP0.7
A8BA1ODC0.71
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
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.79
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.76
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.72