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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03083103

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NBENITROSOBENZENEA1LH70.88
NBENITROSOBENZENEA2LH70.88
NBENITROSOBENZENEA2NSS0.88
1MRN-METHYLANILINEX2OTZ0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.88
TNL2,4,6-TRINITROTOLUENEA1GVR0.76
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.77
URSN-PHENYLTHIOUREAA,B1BUG0.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.7
PBZP-AMINO BENZAMIDINEA1RFN0.7
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.7
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.7
PBZP-AMINO BENZAMIDINEA1FIZ0.7
PBZP-AMINO BENZAMIDINEA1FIW0.7
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.7
ANLANILINEA2OV40.86
ANLANILINEA1AEE0.86
ANLANILINEA1PPA0.86
ANLANILINEA1HJ90.86
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.74
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.74
NBZNITROBENZENEA,B2BMQ0.9
NBZNITROBENZENEA,B3BGU0.9
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.72
PL01-phenylguanidineA2O8W0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.88
PRY2-PROPYL-ANILINEA1OWY0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
PHZ1-PHENYLHYDRAZINEA2E2T0.79
PHZ1-PHENYLHYDRAZINED,H2AGL0.79
5AN3,5-DIFLUOROANILINEA1LGX0.8
NINDINITROPHENYLENEA1RSM0.87
NINDINITROPHENYLENEA1GVY0.87
NINDINITROPHENYLENEA1GW10.87
SANSULFANILAMIDEA1AJ00.76
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.9
3NT3-NITROTOLUENEA,B2BMR0.8
3NT3-NITROTOLUENEA,B2HMO0.8
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.73
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.81
PNZP-NITRO-BENZYLAMINEA,B2C700.81
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.88
NIT4-NITROANILINEC,D1RMH0.96
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.96
NIT4-NITROANILINEB1VBS0.96
NIT4-NITROANILINEC1V9T0.96
NIT4-NITROANILINEC,D1VBT0.96
NIT4-NITROANILINEB1LOP0.96
NIT4-NITROANILINEC,D1ZKF0.96
NIT4-NITROANILINEB1PIP0.96
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
1AN2-FLUOROANILINEA1LGW0.82
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
NYLN-ALLYL-ANILINEA1OVK0.72
34A3,4-DIMETHYLANILINEA1L4K0.71
264(phenylamino)acetonitrileA2RBN0.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.76