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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02682872

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.72
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.72
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.7
876N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-
DIPHOSPHONOPHENYLALANINAMIDE
A1O4B0.71
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide
H,I2ZO30.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.74
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
FA4SM-25453A,B2D1O0.71
FA4SM-25453A,B2D1N0.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.7
DPKDEPRENYLA,B2BYB0.71
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
271N-methyl-1-phenylmethanamineX2RBT0.76
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.73
N9H(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-
N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-
PYRAZOLE-1-CARBOXAMIDE
A,B2G1Q0.75
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.84
SRE(1S,4S)-4-(3,4-dichlorophenyl)-
N-methyl-1,2,3,4-tetrahydronaphthalen-
1-amine
A3GWU0.71
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.8
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.7
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.73
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.75
RUP(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-
3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-
PROPIONAMIDE
A1KYE0.71
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.83
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.73
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.78
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.72
CPUA,B1CR60.88
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.76
AGBN-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREAA1EJN0.73
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.81
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.77
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.77
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.75