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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021993

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ41
PNZP-NITRO-BENZYLAMINEA,B2C701
NBZNITROBENZENEA,B2BMQ0.83
NBZNITROBENZENEA,B3BGU0.83
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.75
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.73
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.73
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.86
1AN2-FLUOROANILINEA1LGW0.7
3NT3-NITROTOLUENEA,B2BMR0.89
3NT3-NITROTOLUENEA,B2HMO0.89
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.7
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.78
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.78
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.78
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.78
ISOPARA-ISOPROPYLANILINEA,B1ELC0.78
ISOPARA-ISOPROPYLANILINEA,B1ELB0.78
ISOPARA-ISOPROPYLANILINEA,B1ELA0.78
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.73
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
34A3,4-DIMETHYLANILINEA1L4K0.78
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.85
ANLANILINEA2OV40.73
ANLANILINEA1AEE0.73
ANLANILINEA1PPA0.73
ANLANILINEA1HJ90.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.86
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.72
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.82
PNDP-NITROPHENYLHYDRAZINEA,G1JMZ0.78
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
NBENITROSOBENZENEA1LH70.77
NBENITROSOBENZENEA2LH70.77
NBENITROSOBENZENEA2NSS0.77
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.77
BZZBENZYLHYDRAZINEA,B2E2V0.71
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.76
AAHH1KEL0.7
AAHB,H1FL60.7
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.7
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.72
NIT4-NITROANILINEC,D1RMH0.84
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.84
NIT4-NITROANILINEB1VBS0.84
NIT4-NITROANILINEC1V9T0.84
NIT4-NITROANILINEC,D1VBT0.84
NIT4-NITROANILINEB1LOP0.84
NIT4-NITROANILINEC,D1ZKF0.84
NIT4-NITROANILINEB1PIP0.84
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
NINDINITROPHENYLENEA1RSM0.8
NINDINITROPHENYLENEA1GVY0.8
NINDINITROPHENYLENEA1GW10.8
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.81