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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01170887

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M1N(1R)-3-METHYL-1-{[N-(MORPHOLIN-
4-YLCARBONYL)-3-(1-NAPHTHYL)-D-
ALANYL]AMINO}BUTYLBORONIC ACID
2,C,E,G,H,J,
L,N,P,R,T,V,
X,Z
2FHH0.71
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.77
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
GCA6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-
5-ISOPROPYLURACIL
A1C1B0.71
CPUA,B1CR60.89
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.7
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.7
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.73
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.7
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.78
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.72
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.72
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.78
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.77
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.73
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.74
MKC6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACILA1RT10.73
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
DPKDEPRENYLA,B2BYB0.75
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.71
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.7
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.72
TTXTENTOXINB1KMH0.75
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.78
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.7
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.71
271N-methyl-1-phenylmethanamineX2RBT0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.83
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72