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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00106234

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		B,C1GG60.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)		G6GCH0.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.8
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.75
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine		A3BKK0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.82
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.82
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.82
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.82
MY5{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-
1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID		I2CNN0.71
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.72
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
3XH3-Hydroxyhippuric acidA3E9K0.74
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.7
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.71
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1R1I0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA		A1QF10.73
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.74
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID		A,I2CNL0.74
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.77
DPND-PHENYLALANINEP1MCS0.7
DPND-PHENYLALANINEA1GOE0.7
DPND-PHENYLALANINEA2RM90.7
DPND-PHENYLALANINEA1SOC0.7
DPND-PHENYLALANINEB,C,E,F1SFQ0.7
DPND-PHENYLALANINEI1ABJ0.7
DPND-PHENYLALANINEP1DWE0.7
DPND-PHENYLALANINEI,M1HLT0.7
DPND-PHENYLALANINEA,H,L1J9C0.7
DPND-PHENYLALANINEI,T1TMB0.7
DPND-PHENYLALANINEA2JRY0.7
DPND-PHENYLALANINEA2SOC0.7
DPND-PHENYLALANINEA2YYF0.7
DPND-PHENYLALANINEI2HGT0.7
DPND-PHENYLALANINEA,D2Q3I0.7
DPND-PHENYLALANINEA,P1MCD0.7
DPND-PHENYLALANINEP1HAO0.7
DPND-PHENYLALANINEA,B,I1Z8J0.7
DPND-PHENYLALANINEA,B,C2PGQ0.7
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y		1DVA0.7
DPND-PHENYLALANINEP1NRR0.7
DPND-PHENYLALANINEI1PPB0.7
DPND-PHENYLALANINEC,D,G,H1NU70.7
DPND-PHENYLALANINEI2HPP0.7
DPND-PHENYLALANINEB,C2OD30.7
DPND-PHENYLALANINEA1B0Q0.7
DPND-PHENYLALANINEB,C,E,F1NU90.7
DPND-PHENYLALANINEA,B,I1Z8I0.7
DPND-PHENYLALANINEH,I,J1TMU0.7
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.7
DPND-PHENYLALANINEA1GO90.7
DPND-PHENYLALANINEB,C,E,F1A0H0.7
DPND-PHENYLALANINEP1MCF0.7
DPND-PHENYLALANINEA2RME0.7
DPND-PHENYLALANINEH,I1TMT0.7
DPND-PHENYLALANINEI1ABI0.7
DPND-PHENYLALANINER1NRQ0.7
DPND-PHENYLALANINEB,C,F,G2A1D0.7
DPND-PHENYLALANINEA,B2Q330.7
DPND-PHENYLALANINEC,H,L1DAN0.7
DPND-PHENYLALANINEP1MCE0.7
DPND-PHENYLALANINEB,C,E,F2A450.7
DPND-PHENYLALANINEA2RMI0.7
DPND-PHENYLALANINEA,B,I1TQ70.7
DPND-PHENYLALANINEA1W7M0.7
DPND-PHENYLALANINEP1HAP0.7
DPND-PHENYLALANINEA,B1ORF0.7
DPND-PHENYLALANINEI1IHS0.7
DPND-PHENYLALANINEP1MCC0.7
DPND-PHENYLALANINEA2RMD0.7
DPND-PHENYLALANINEA2JQB0.7
DPND-PHENYLALANINEI2HPQ0.7
DPND-PHENYLALANINEC,E,F1SHH0.7
DPND-PHENYLALANINEA,I1CVR0.7
DPND-PHENYLALANINEL,P1AUT0.7
DPND-PHENYLALANINEP1MCI0.7
DPND-PHENYLALANINEH,I3F6U0.7
DPND-PHENYLALANINEA1BFW0.7
DPND-PHENYLALANINEH,I1HAI0.7
DPND-PHENYLALANINEB,C2THF0.7
DPND-PHENYLALANINEI1IHT0.7
DPND-PHENYLALANINEA,P1MCJ0.7
DPND-PHENYLALANINEA1TKH0.7
DPND-PHENYLALANINEC,H,L,T2FIR0.7
DPND-PHENYLALANINEA2FMZ0.7
DPND-PHENYLALANINEA1YL90.7
DPND-PHENYLALANINEI1HUT0.7
DPND-PHENYLALANINEI1FXY0.7
DPND-PHENYLALANINEA1YL80.7
DPND-PHENYLALANINEC,H,L1QFK0.7
DPND-PHENYLALANINEP1MCB0.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.72
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.7
RRT(R)-RETRO-THIORPHANE1Z9G0.77
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid		A3D7H0.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.79
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.7
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.7
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
HU2(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-
ISOPROPYL-7-METHYLOCT-4-ENOYL]-
L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID		A,C2OC10.7
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.74
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.71
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.77
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.7
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.73
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.73
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.73
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID		A2V350.76
ENBETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-
BUTOXYCARBONYL)-L-VALYL]AMINO}-
2-PHENYLETHANOYL)AMINO]-5-[(3S)-
2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE		A,B2D2D0.72
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID		N1MMJ0.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.79
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.75
271N-methyl-1-phenylmethanamineX2RBT0.74
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide		A,B2QXG0.71
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.73
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		H,L1D6V0.71
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		A,B,H,L1AXS0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,		A1WAX0.73
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.73
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.75
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.71
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.76
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.77
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine		X3B7U0.73
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate		A,C,D,E,G,P,
Q,R,W		3CWB0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.8
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.76
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.84
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE		E1ZDP0.74
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.75
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE		A2F380.72
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.71
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid		A,B2WKW0.7
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.72
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID		A,B2RCX0.75
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE		B,C1GG60.76
TTXTENTOXINB1KMH0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.79
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.73
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.75
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.73
S2DN-BENZOYL-D-ALANINEA,B2JCI0.85
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.71
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.76
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.76
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.76