MMsINC Database Search
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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009030

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALQ2-METHYL-PROPIONIC ACIDC,D1FKN0.7
ALQ2-METHYL-PROPIONIC ACIDC,D2ZHR0.7
ALQ2-METHYL-PROPIONIC ACIDA1IUP0.7
ALQ2-METHYL-PROPIONIC ACIDC,D1M4H0.7
ALQ2-METHYL-PROPIONIC ACIDA1R6N0.7
ALQ2-METHYL-PROPIONIC ACIDE,F,G,H1XN20.7
LEALEVULINIC ACIDP1VWR0.74
LEALEVULINIC ACIDM,P1VWJ0.74
LEALEVULINIC ACIDA,B1W1Z0.74
LEALEVULINIC ACIDA,B1B4K0.74
LEALEVULINIC ACIDM,P1VWK0.74
LEALEVULINIC ACIDP1VWQ0.74
LEALEVULINIC ACIDA1UK80.74
LEALEVULINIC ACIDM,P1VWL0.74
LEALEVULINIC ACIDM,P1VWI0.74
LEALEVULINIC ACIDA1B4E0.74
SINSUCCINIC ACIDA,B1KQE0.71
SINSUCCINIC ACIDA,B,C,D1KOR0.71
SINSUCCINIC ACIDA,B,C,D3GXW0.71
SINSUCCINIC ACIDA2AYD0.71
SINSUCCINIC ACIDA,B,D,E2BWN0.71
SINSUCCINIC ACIDA,B3E4O0.71
SINSUCCINIC ACIDC,D1ZKF0.71
SINSUCCINIC ACIDA1UO90.71
SINSUCCINIC ACIDA,B3BY90.71
SINSUCCINIC ACIDH,I1OYT0.71
SINSUCCINIC ACIDA,B,C,D1VZ50.71
SINSUCCINIC ACIDI1THS0.71
SINSUCCINIC ACIDA2WBP0.71
SINSUCCINIC ACIDA,B2DJL0.71
SINSUCCINIC ACIDD,H2FES0.71
SINSUCCINIC ACIDA,B3CQY0.71
SINSUCCINIC ACIDA,B,F,G2Q8D0.71
SINSUCCINIC ACIDA,B2BIF0.71
SINSUCCINIC ACIDA2FDJ0.71
SINSUCCINIC ACIDA1O6F0.71
SINSUCCINIC ACIDA1O6G0.71
SINSUCCINIC ACIDH2CN00.71
SINSUCCINIC ACIDC,D1RMH0.71
SINSUCCINIC ACIDA,B,D,F,G,H,I2IXP0.71
SINSUCCINIC ACIDA,B3EDN0.71
SINSUCCINIC ACIDA2CNQ0.71
SINSUCCINIC ACIDA,B,C,D2Z0A0.71
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1HQJ0.71
SINSUCCINIC ACIDA3GC20.71
SINSUCCINIC ACIDS1AU80.71
SINSUCCINIC ACIDA1RPV0.71
SINSUCCINIC ACIDB,M,P2RKZ0.71
SINSUCCINIC ACIDA1KYC0.71
SINSUCCINIC ACIDA1D4D0.71
SINSUCCINIC ACIDB1PIP0.71
SINSUCCINIC ACIDD,H2FEQ0.71
SINSUCCINIC ACIDH,P2ANK0.71
SINSUCCINIC ACIDA1CZE0.71
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
3HWK0.71
SINSUCCINIC ACIDA,B,C,D1F8I0.71
SINSUCCINIC ACIDA,B,C,D1XG30.71
SINSUCCINIC ACIDH,P2A2X0.71
SINSUCCINIC ACIDA1H2Z0.71
SINSUCCINIC ACIDA,B,C,D1HG00.71
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
1L4X0.71
SINSUCCINIC ACIDA2CSG0.71
SINSUCCINIC ACIDA1KNP0.71
SINSUCCINIC ACIDA1E5H0.71
SINSUCCINIC ACIDA1ABZ0.71
SINSUCCINIC ACIDD,H1NZQ0.71
SINSUCCINIC ACIDA,B2V620.71
SINSUCCINIC ACIDA,B2FDG0.71
SINSUCCINIC ACIDA,B2FDK0.71
SINSUCCINIC ACIDA,B2FDI0.71
SINSUCCINIC ACIDH2CF90.71
SINSUCCINIC ACIDB1LOP0.71
SINSUCCINIC ACIDA,B1H6C0.71
SINSUCCINIC ACIDA3BIF0.71
SINSUCCINIC ACIDA1ZWG0.71
SINSUCCINIC ACIDS1CGH0.71
SINSUCCINIC ACIDD,H1O0D0.71
SINSUCCINIC ACIDH2CF80.71
SINSUCCINIC ACIDA2CGN0.71
SINSUCCINIC ACIDA,X2AGE0.71
SINSUCCINIC ACIDA,B,C,D,E,F,
G,H
3HZN0.71
SINSUCCINIC ACIDA,B1QGL0.71
SINSUCCINIC ACIDH2V3O0.71
SINSUCCINIC ACIDA,B,C,D2PC60.71
SINSUCCINIC ACIDA2R2J0.71
SINSUCCINIC ACIDH,I2V3H0.71
SINSUCCINIC ACIDC1V9T0.71
SINSUCCINIC ACIDA2OG70.71
SINSUCCINIC ACIDA,D1VZ40.71
SINSUCCINIC ACIDA,X2AGG0.71
SINSUCCINIC ACIDA1GP60.71
BUABUTANOIC ACIDA2CZ00.82
BUABUTANOIC ACIDA1P0I0.82
BUABUTANOIC ACIDA,B2HA70.82
BUABUTANOIC ACIDA1UK70.82
BUABUTANOIC ACIDA2J4C0.82
BUABUTANOIC ACIDA1ZRM0.82
BUABUTANOIC ACIDA3DLT0.82
BUABUTANOIC ACIDA1UGP0.82
BUABUTANOIC ACIDA,B2CZ10.82
PIVPIVALIC ACIDB,D,F,H1SMR0.7
PYRPYRUVIC ACIDA1I7C0.89
PYRPYRUVIC ACIDA3LDH0.89
PYRPYRUVIC ACIDA1AQ20.89
PYRPYRUVIC ACIDA1OS10.89
PYRPYRUVIC ACIDA,B2EZT0.89
PYRPYRUVIC ACIDA,B,C,D,E,F2VHX0.89
PYRPYRUVIC ACIDA1IZC0.89
PYRPYRUVIC ACIDB,D1HQ60.89
PYRPYRUVIC ACIDA,B3H0V0.89
PYRPYRUVIC ACIDA,B,C,D3BG30.89
PYRPYRUVIC ACIDA,B,C,D2G5F0.89
PYRPYRUVIC ACIDA,B,C,D2O9A0.89
PYRPYRUVIC ACIDA,B,C,D1F8M0.89
PYRPYRUVIC ACIDA,B,C,D1I7M0.89
PYRPYRUVIC ACIDA1W3P0.89
PYRPYRUVIC ACIDA,B1P7T0.89
PYRPYRUVIC ACIDA,B3DZ60.89
PYRPYRUVIC ACIDA,B1SZF0.89
PYRPYRUVIC ACIDA,B2C3O0.89
PYRPYRUVIC ACIDA3EP30.89
PYRPYRUVIC ACIDA,B1LDC0.89
PYRPYRUVIC ACIDA,B,C,D,E,F,
G,H
1F3X0.89
PYRPYRUVIC ACIDB,D,F,H,J,L1N130.89
PYRPYRUVIC ACIDA,B2FN10.89
PYRPYRUVIC ACIDA,B1MZO0.89
PYRPYRUVIC ACIDA3BP20.89
PYRPYRUVIC ACIDA1W3O0.89
PYRPYRUVIC ACIDA,B3H0W0.89
PYRPYRUVIC ACIDA1H160.89
PYRPYRUVIC ACIDB,E1AW80.89
PYRPYRUVIC ACIDA,B,C,D,F,G,
H,J,K,L
1MT10.89
PYRPYRUVIC ACIDA,B3DZ20.89
PYRPYRUVIC ACIDA,B2OZ00.89
PYRPYRUVIC ACIDA,B2EZ80.89
PYRPYRUVIC ACIDA,B2EWD0.89
PYRPYRUVIC ACIDA,B1FCB0.89
PYRPYRUVIC ACIDA,B2C420.89
PYRPYRUVIC ACIDA,B2EZU0.89
PYRPYRUVIC ACIDA,B3HGX0.89
PYRPYRUVIC ACIDA,B,C,D2E770.89
PYRPYRUVIC ACIDA1MHM0.89
PYRPYRUVIC ACIDB,D,F1IBV0.89
PYRPYRUVIC ACIDB3C7D0.89
PYRPYRUVIC ACIDA3EP40.89
PYRPYRUVIC ACIDA1I790.89
PYRPYRUVIC ACIDA,B,C,D3BG50.89
PYRPYRUVIC ACIDA1PKN0.89
PYRPYRUVIC ACIDA,B1H180.89
PYRPYRUVIC ACIDA,B,C,D1IE30.89
PYRPYRUVIC ACIDA,B,C,D1W3T0.89
PYRPYRUVIC ACIDA,B2NUY0.89
PYRPYRUVIC ACIDA,B2W110.89
PYRPYRUVIC ACIDA1W3R0.89
PYRPYRUVIC ACIDA,B,C,D,E,F,
G,H
3DV00.89
PYRPYRUVIC ACIDA2VPA0.89
PYRPYRUVIC ACIDB,D,F1PYA0.89
PYRPYRUVIC ACIDA,B,C,D,E,F,
H,I,J,K,L
2QQC0.89
PYRPYRUVIC ACIDA,B,C,D,E,F1WA30.89
PYRPYRUVIC ACIDA,B1DXF0.89
PYRPYRUVIC ACIDB,D,F1IBW0.89
PYRPYRUVIC ACIDB1VC30.89
PYRPYRUVIC ACIDA,C1JEN0.89
PYRPYRUVIC ACIDA,B,C,D2R940.89
PYRPYRUVIC ACIDA1SAY0.89
PYRPYRUVIC ACIDA,B,C,D,E,F,
G,H
1F3W0.89
PYRPYRUVIC ACIDA,B3DZ40.89
PYRPYRUVIC ACIDA,B,C,D1W3I0.89
PYRPYRUVIC ACIDA,B3DZ70.89
PYRPYRUVIC ACIDB,D,F1IBT0.89
PYRPYRUVIC ACIDA3EP50.89
PYRPYRUVIC ACIDA,B3EPB0.89
PYRPYRUVIC ACIDA,B3DZ50.89
PYRPYRUVIC ACIDA3EP80.89
PYRPYRUVIC ACIDA,B3EPA0.89
PYRPYRUVIC ACIDA,B,C,D2VK10.89
PYRPYRUVIC ACIDA,B3DI10.89
PYRPYRUVIC ACIDA3EP90.89
PYRPYRUVIC ACIDA,B2FM30.89
PYRPYRUVIC ACIDA,B,C,D1XG30.89
PYRPYRUVIC ACIDA3EP60.89
PYRPYRUVIC ACIDA,B2HZL0.89
PYRPYRUVIC ACIDA1I7B0.89
PYRPYRUVIC ACIDA3EP70.89
PYRPYRUVIC ACIDB,D,F1IBU0.89
PYRPYRUVIC ACIDA,B,C,D2H9D0.89
PYRPYRUVIC ACIDA,B,C,D1FDZ0.89
PYRPYRUVIC ACIDA,B1KBI0.89
PYRPYRUVIC ACIDA,B2C3U0.89
PYRPYRUVIC ACIDB2EEO0.89
PYRPYRUVIC ACIDA1I720.89
PYRPYRUVIC ACIDA,B,C1EUA0.89
PYRPYRUVIC ACIDA1RQH0.89
PYRPYRUVIC ACIDA,B,C,D1I7Q0.89
PYRPYRUVIC ACIDA,B2PDA0.89
PYRPYRUVIC ACIDA,B2QF20.89
PYRPYRUVIC ACIDA,B,C,D1PJ30.89
PYRPYRUVIC ACIDA,B3DZ30.89
PYRPYRUVIC ACIDA,B,C,D1O5Q0.89
PYRPYRUVIC ACIDA3BLF0.89
PYRPYRUVIC ACIDA1YLH0.89
PYRPYRUVIC ACIDA,B,C,D,E,F,
G,H
2G500.89
PYRPYRUVIC ACIDA,B,C,D,E2QQD0.89
PYRPYRUVIC ACIDA,B,C2VWT0.89
PYRPYRUVIC ACIDA,B,C,D1IGW0.89
PYRPYRUVIC ACIDA1K3C0.89
PYRPYRUVIC ACIDA3BLI0.89
PPIPROPANOIC ACIDA1SEG0.74
PPIPROPANOIC ACIDA,B2SFP0.74
PPIPROPANOIC ACIDA2HUB0.74
PPIPROPANOIC ACIDA1A8S0.74
PPIPROPANOIC ACIDA1UK60.74
PPIPROPANOIC ACIDA1LIE0.74
PPIPROPANOIC ACIDA,B,C2UYP0.74
PPIPROPANOIC ACIDA1ADL0.74
PPIPROPANOIC ACIDA,P,Q3CU80.74
PPIPROPANOIC ACIDA1TU90.74
PPIPROPANOIC ACIDA1UUX0.74
PPIPROPANOIC ACIDA1UUY0.74
PPIPROPANOIC ACIDA1LIC0.74
2KT2-KETOBUTYRIC ACIDA1RR21
2KT2-KETOBUTYRIC ACIDA,B,C2UYN1
2KT2-KETOBUTYRIC ACIDA,B,C,D1TZK1
2KT2-KETOBUTYRIC ACIDX2Q1C1
2KT2-KETOBUTYRIC ACIDX2Q1A1
IVAISOVALERIC ACIDA1YOO0.74
IVAISOVALERIC ACIDE,I4ER20.74
IVAISOVALERIC ACIDE,I1APU0.74
IVAISOVALERIC ACIDE,I1APW0.74
IVAISOVALERIC ACIDE,I1APT0.74
IVAISOVALERIC ACIDA2D5Y0.74
IVAISOVALERIC ACIDA,I1GA40.74
IVAISOVALERIC ACIDE,I1PPK0.74
IVAISOVALERIC ACIDA,B,C,D1QS80.74
IVAISOVALERIC ACIDA,B,C1NLU0.74
IVAISOVALERIC ACIDA,B2RMP0.74
IVAISOVALERIC ACIDA,B1KE10.74
IVAISOVALERIC ACIDE,I1PPL0.74
IVAISOVALERIC ACIDA,B,C,D,I,J1LYB0.74
IVAISOVALERIC ACIDA2D640.74
IVAISOVALERIC ACIDI2ER00.74
IVAISOVALERIC ACIDI1QRP0.74
IVAISOVALERIC ACIDE,I1APV0.74
IVAISOVALERIC ACIDA,B1KDZ0.74
IVAISOVALERIC ACIDA1UK90.74
IVAISOVALERIC ACIDA,I1WKR0.74
IVAISOVALERIC ACIDA,I3FNT0.74
IVAISOVALERIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FV30.74
IVAISOVALERIC ACIDI1PSO0.74
IVAISOVALERIC ACIDI6APR0.74
IVAISOVALERIC ACIDA2D630.74
LAF5-FLUOROLEVULINIC ACIDA,B1GZG0.71
SMB2-METHYLBUTANOIC ACIDA,B,C1YA80.74
SMB2-METHYLBUTANOIC ACIDA1UKA0.74
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.87
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.87
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.87
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.87
KMT4-(METHYLSULFANYL)-2-OXOBUTANOIC ACIDA,B1V2E0.75
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.77
DTGDES-AMINO T-BUTYL GLYCINEA,B,C,D2WPO0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D1YBA0.72
AKG2-OXYGLUTARIC ACIDA1DS10.72
AKG2-OXYGLUTARIC ACIDA1H2L0.72
AKG2-OXYGLUTARIC ACIDA,B,C1NX80.72
AKG2-OXYGLUTARIC ACIDA,B3BUC0.72
AKG2-OXYGLUTARIC ACIDA2RDN0.72
AKG2-OXYGLUTARIC ACIDA,B3BIE0.72
AKG2-OXYGLUTARIC ACIDA,D1OIK0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D3DC10.72
AKG2-OXYGLUTARIC ACIDA,B2FDF0.72
AKG2-OXYGLUTARIC ACIDA3D8C0.72
AKG2-OXYGLUTARIC ACIDA1DRY0.72
AKG2-OXYGLUTARIC ACIDA,B2FDH0.72
AKG2-OXYGLUTARIC ACIDA,B,C2J9E0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFY0.72
AKG2-OXYGLUTARIC ACIDA1UNB0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D1OIJ0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFX0.72
AKG2-OXYGLUTARIC ACIDA,B1GQW0.72
AKG2-OXYGLUTARIC ACIDA,B3BKZ0.72
AKG2-OXYGLUTARIC ACIDA,B2GP50.72
AKG2-OXYGLUTARIC ACIDA,B3GJB0.72
AKG2-OXYGLUTARIC ACIDA1GP40.72
AKG2-OXYGLUTARIC ACIDA2RDQ0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F1HWY0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.72
AKG2-OXYGLUTARIC ACIDA,B3BU00.72
AKG2-OXYGLUTARIC ACIDA,B2FCT0.72
AKG2-OXYGLUTARIC ACIDA,B,F,G2Q8C0.72
AKG2-OXYGLUTARIC ACIDA,B1GY90.72
AKG2-OXYGLUTARIC ACIDA,B,C,D1OII0.72
AKG2-OXYGLUTARIC ACIDA2A1X0.72
AKG2-OXYGLUTARIC ACIDA1H2N0.72
AKG2-OXYGLUTARIC ACIDA,B,C1NX40.72
AKG2-OXYGLUTARIC ACIDA2BRT0.72
AKG2-OXYGLUTARIC ACIDA,B2FCV0.72
AKG2-OXYGLUTARIC ACIDA,B2FDI0.72
AKG2-OXYGLUTARIC ACIDA2YU10.72
AKG2-OXYGLUTARIC ACIDA,B2FDK0.72
AKG2-OXYGLUTARIC ACIDA1E5I0.72
AKG2-OXYGLUTARIC ACIDA1UOB0.72
AKG2-OXYGLUTARIC ACIDA,B1OFE0.72
AKG2-OXYGLUTARIC ACIDA2ILM0.72
AKG2-OXYGLUTARIC ACIDA,B2FCU0.72
AKG2-OXYGLUTARIC ACIDA,B1AIB0.72
AKG2-OXYGLUTARIC ACIDA1RXG0.72
AKG2-OXYGLUTARIC ACIDA1MZF0.72
AKG2-OXYGLUTARIC ACIDA,B1EA00.72
AKG2-OXYGLUTARIC ACIDA1DRT0.72
AKG2-OXYGLUTARIC ACIDA2IUW0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D3BN10.72
AKG2-OXYGLUTARIC ACIDA,B2FD80.72
AKG2-OXYGLUTARIC ACIDA2JJH0.72
AKG2-OXYGLUTARIC ACIDA1IKA0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D1OS70.72
AKG2-OXYGLUTARIC ACIDA1MDX0.72
AKG2-OXYGLUTARIC ACIDA,B1OFD0.72
AKG2-OXYGLUTARIC ACIDA2CJH0.72
AKG2-OXYGLUTARIC ACIDA1GP50.72
AKG2-OXYGLUTARIC ACIDA1CW40.72
AKG2-OXYGLUTARIC ACIDA,B3BI30.72
AKG2-OXYGLUTARIC ACIDA1BL50.72
AKG2-OXYGLUTARIC ACIDA1LLW0.72
AKG2-OXYGLUTARIC ACIDA2ZE30.72
AKG2-OXYGLUTARIC ACIDA1GVG0.72
SHFLAEVULINIC ACIDA1YLV0.76
SHFLAEVULINIC ACIDA1H7N0.76
OAAOXALOACETATE IONA,B,C2ACZ0.74
OAAOXALOACETATE IONA1CSR0.74
OAAOXALOACETATE IONX2PXZ0.74
OAAOXALOACETATE IONA1RQE0.74
OAAOXALOACETATE IONA1AL60.74
OAAOXALOACETATE IONA1OAA0.74
OAAOXALOACETATE IONA,B,C,D1NEK0.74
OAAOXALOACETATE IONA2BYO0.74
OAAOXALOACETATE IONA,B2QF20.74
OAAOXALOACETATE IONA1CSS0.74
OAAOXALOACETATE IONA1Z6K0.74
OAAOXALOACETATE IONA1NAS0.74
OAAOXALOACETATE IONA1CSH0.74
OAAOXALOACETATE IONA,B,C,M,N,O,P1KF60.74
OAAOXALOACETATE IONA,B,C,D2IFC0.74
OAAOXALOACETATE IONA1CSI0.74
OAAOXALOACETATE IONA,B,C,D,E,F2H120.74
OAAOXALOACETATE IONA,B,D,M,N,O,P1L0V0.74
OAAOXALOACETATE IONA2QF10.74
OAAOXALOACETATE IONA,B,C1SGJ0.74
OAAOXALOACETATE IONA,B,C1NEN0.74
OAAOXALOACETATE IONA,B,C,D2R260.74
OAAOXALOACETATE IONA,B,D,M,N,O,P1KFY0.74
OAAOXALOACETATE IONA,B4CTS0.74
OAAOXALOACETATE IONA1B8U0.74
OAAOXALOACETATE IONA5CTS0.74
DHD2,4-DIOXO-PENTANEDIOIC ACIDA,B,C,D1CS10.7
SIF3-TRIMETHYLSILYLSUCCINIC ACIDA,B1FUQ0.72
AAEACETOACETIC ACIDA,B,C,D3EEW0.83
AAEACETOACETIC ACIDA1FCP0.83
AAEACETOACETIC ACIDA1UJW0.83
AAEACETOACETIC ACIDA,B1QCO0.83
AAEACETOACETIC ACIDA,B,C,D,L1E3W0.83
AAEACETOACETIC ACIDA,B1YSL0.83
AAEACETOACETIC ACIDA2FCP0.83
VADDEAMINOHYDROXYVALINEC1CWO0.7