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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02957123

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM		A,B,C,D1PVJ0.72
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A,B1BCS0.7
CST[[PHENYLALANINE-CARBONYL-AMINO-
2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-
4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-
GLYCYL]PHENYLALANINE		A1SGC0.7
MOQMOTUPORINA2BCD0.7
A70N-ethyl-N-[(4-methylpiperazin-1-
yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-
4-(butylcarbamoyl)-1-(cyclohexylmethyl)-
2-hydroxy-5-methylhexyl]-L-norleucinamide		A1ZAP0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.7
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,C2OC10.74
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.72
F68N-{[(4-methylphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QLM0.72
AIPANTIPAINA,B1BCR0.71
RPRA1F0U0.72
RPRA1EZQ0.72
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.72
PMEN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-
METHYL ESTER		H,L1A8J0.71
PP82-[(1R)-1-(N-(3-METHYLBUTANOYL)-
L-VALYL-L-ASPARAGINYL)-AMINO)-3-
METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-
3-PHENYLPROPANOIC ACID METHYLESTER		A1BXQ0.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.73
Y15N-[(1S)-2-{[(1R)-2-(benzyloxy)-
1-cyano-1-methylethyl]amino}-1-
(cyclohexylmethyl)-2-oxoethyl]morpholine-
4-carboxamide		A,B2R9O0.7
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER		B1SIV0.72
PSI2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)-
PROPIONYLAMINO]-4-HYDROXY-6-PHENYL-
HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)-
3-METHYL-BUTYRIC ACID METHYL ESTER		B1AAQ0.72
FNH(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-
5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-
1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-
2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID		A,C2A4Q0.73
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1Q0B0.71
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1X880.71
UNH({1-[1-CARBAMOYL-PHENYL-METHYL)-
CARBAMOYL]-METHYL}-AMINOOXALYL)-
BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-
CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER		A,C2A4G0.74
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		A,B,I,J1NH00.71
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID		I1U8G0.71
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.7
3UN(4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-
2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID		A2H030.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.73
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.73
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		2FHH0.7
BAV(3S,14R,16S)-16-[(1R)-1-hydroxy-
2-{[3-(1-methylethyl)benzyl]amino}ethyl]-
3,4,14-trimethyl-1,4-diazacyclohexadecane-
2,5-dione		A,B,C3DV50.74
U11METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY-
3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE		A2GG00.75
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID		A,B1A4Q0.7
DPC5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-
PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-
PYRAN-2-CARBOXYLIC ACID		A1BJI0.7
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.72
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,M,N1FJM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVA0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1LCM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYM0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,I2IE30.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,X,Y2NPP0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVC0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		C,F,G,H3DW80.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A,B,C,D,E,F,
G,H		2NYL0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVD0.75
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID		A1EVB0.75
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid		A3B690.71
BZDA1K060.71
BZDA1K080.71
BZDA2QNB0.71
FRG2-[3-METHYL-4-(N-METHYL-GUANIDINO)-
BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-
PHENYL)-PROPIONIC ACID METHYL ESTER		A,B1M480.72
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
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.7
CHYCHYMOSTATINA,B1M210.7
CHYCHYMOSTATINA,B1WVM0.7
BN6(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-
BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-
20-METHYL-4,7,11,14,17-PENTAOXO-
2-PHENYL-18-OXA-3,6,10,12,13,16-
HEXAAZAHENICOSAN-1-OIC ACID		A,C2F9V0.72
U16METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-ISOPROPYLPHENYL)PROPANOYL]-
D-ALANYL-D-LEUCINATE		A2GG90.76
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID		A2V350.73
SBX1-CYCLOHEXYL-3-PHENYL-1-PROPYL-
1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)-
2-PIPERIDINE CARBOXYLATE		A1FKH0.72
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B1NJS0.73
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B,C,D1RBY0.73
KEUN-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-
6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-
(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-
D-GLUTAMIC ACID		A,B,C,D1RBQ0.73
MU0(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-
4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-
1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-
2-OXO-3-PHENYL-1,3-OXAZOLIDINE-
5-CARBOXAMIDE		A,B2Q550.71
D7G((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2,3-DIOXOPROPYL)AMINO)CARBONYL)-
3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-
3-OXAPENTYL ESTER		A2G8J0.74
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUX0.76
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.7
BNH[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-
3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-
2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID		A,C2A4R0.73
U15METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-
3-(4-METHYLPHENYL)PROPANOYL]-D-
ALANYL-D-LEUCINATE		A2GG80.77
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A,B2ZOF0.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2HPT0.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1TXR0.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1XRY0.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2EK90.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1HS60.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A2DQM0.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A3EBH0.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A1GW60.76
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID		A,B2ZOG0.76
F59N-[(biphenyl-4-ylcarbonyl)carbamoyl]-
beta-D-glucopyranosylamine		A2QLN0.71
C47METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-
9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-
9-OXO-NONANOYL]-3,4-DIHYDRO-2H-
QUINOLINE-3-CARBOXYLATE		C,O2V160.74
BLNMORPHOLINE-4-CARBOXYLIC ACID [1S-
(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-
3-METHYL-BUTYL]AMIDE		A1MS60.7
MMIN-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-
2-METHYLPROPYL}AMINO)-5-HYDROXY-
2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-
4-ISOPROPYL-2,5,9-TRIOXO-1-OXA-
3,6,10-TRIAZACYCLOHEXADECANE-7-
CARBOXAMIDE		D1XS70.72
PP7METHYL CYCLO[(2S)-2-[[(1R)-1-(N-
(L-N-(3-METHYLBUTANOYL)VALYL-L-
ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-
3-(3-AMINOMETHYL)PHENYLPROPANOATE		A1BXO0.75
SC7N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-
YL]-2-HYDROXYETHYL}-5-METHYL-N,N-
DIPROPYLISOPHTHALAMIDE		A,B2QP80.7
Y14N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-
3-yl]amino}-1-(cyclohexylmethyl)-
2-oxoethyl]morpholine-4-carboxamide		A,B2R9N0.71
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE		A2AUZ0.73
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.72
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid		A3D9C0.74